4-(2-cyclopropylbenzimidazol-1-yl)-3-(ethylcarbamoyl)-1-(naphthalen-2-ylmethyl)-2-oxidanylidene-3-piperidin-1-yl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 4-(2-cyclopropylbenzimidazol-1-yl)-3-(ethylcarbamoyl)-1-(naphthalen-2-ylmethyl)-2-oxidanylidene-3-piperidin-1-yl-piperidin-1-ium-1-carboxylic acid Openeye Name: 4-(2-cyclopropylbenzimidazol-1-yl)-3-(ethylcarbamoyl)-1-(2-naphthylmethyl)-2-oxo-3-(1-piperidyl)piperidin-1-ium-1-carboxylic acid CAS Name: 4-(2-cyclopropyl-1-benzimidazolyl)-3-(ethylcarbamoyl)-1-(2-naphthalenylmethyl)-2-oxo-3-(1-piperidinyl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 4-(2-cyclopropylbenzimidazol-1-yl)-3-(ethylcarbamoyl)-1-(naphthalen-2-ylmethyl)-2-oxo-3-piperidin-1-ylpiperidin-1-ium-1-carboxylic acid Traditional Name: 4-(2-cyclopropylbenzimidazol-1-yl)-3-(ethylcarbamoyl)-2-keto-1-(2-naphthylmethyl)-3-piperidino-piperidin-1-ium-1-carboxylic acid Formula: C35H40N5O4+ MolecularWeight: 594.7232

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1(C(CC[N+](C1=O)(CC2=CC3=CC=CC=C3C=C2)C(=O)O)N4C5=CC=CC=C5N=C4C6CC6)N7CCCCC7

Isomeric SMILES

CCNC(=O)C1(C(CC[N+](C1=O)(CC2=CC3=CC=CC=C3C=C2)C(=O)O)N4C5=CC=CC=C5N=C4C6CC6)N7CCCCC7

InChI

InChI=1S/C35H39N5O4/c1-2-36-32(41)35(38-19-8-3-9-20-38)30(39-29-13-7-6-12-28(29)37-31(39)26-16-17-26)18-21-40(33(35)42,34(43)44)23-24-14-15-25-10-4-5-11-27(25)22-24/h4-7,10-15,22,26,30H,2-3,8-9,16-21,23H2,1H3,(H-,36,41,43,44)/p+1