1-aminocarbonyl-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-5-methyl-4-(3-methylsulfanylpropyl)-3-naphthalen-1-yl-pyrrol-1-ium-1-carboxylic acid

Systemtic Name: 1-aminocarbonyl-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-5-methyl-4-(3-methylsulfanylpropyl)-3-naphthalen-1-yl-pyrrol-1-ium-1-carboxylic acid Openeye Name: 1-carbamoyl-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-5-methyl-4-(3-methylsulfanylpropyl)-3-(1-naphthyl)pyrrol-1-ium-1-carboxylic acid CAS Name: 1-carbamoyl-2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-5-methyl-4-[3-(methylthio)propyl]-3-(1-naphthalenyl)-1-pyrrol-1-iumcarboxylic acid IUPAC Name: 1-carbamoyl-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-5-methyl-4-(3-methylsulfanylpropyl)-3-naphthalen-1-ylpyrrol-1-ium-1-carboxylic acid Traditional Name: 1-carbamoyl-2-[3-(4-cyanobenzyl)imidazol-4-yl]-5-methyl-4-[3-(methylthio)propyl]-3-(1-naphthyl)pyrrol-1-ium-1-carboxylic acid Formula: C32H30N5O3S+ MolecularWeight: 564.6773

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C([N+]1(C(=O)N)C(=O)O)C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)CCCSC

Isomeric SMILES

CC1=C(C(=C([N+]1(C(=O)N)C(=O)O)C2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC=CC5=CC=CC=C54)CCCSC

InChI

InChI=1S/C32H29N5O3S/c1-21-25(11-6-16-41-2)29(27-10-5-8-24-7-3-4-9-26(24)27)30(37(21,31(34)38)32(39)40)28-18-35-20-36(28)19-23-14-12-22(17-33)13-15-23/h3-5,7-10,12-15,18,20H,6,11,16,19H2,1-2H3,(H2-,34,38,39,40)/p+1