[1-(cyclopentylmethyl)-1-methyl-indol-1-ium-3-yl]methyl 3-methoxy-2-(methylcarbamoyl)benzoate

Systemtic Name: [1-(cyclopentylmethyl)-1-methyl-indol-1-ium-3-yl]methyl 3-methoxy-2-(methylcarbamoyl)benzoate Openeye Name: [1-(cyclopentylmethyl)-1-methyl-indol-1-ium-3-yl]methyl 3-methoxy-2-(methylcarbamoyl)benzoate CAS Name: 3-methoxy-2-(methylcarbamoyl)benzoic acid [1-(cyclopentylmethyl)-1-methyl-3-indol-1-iumyl]methyl ester IUPAC Name: [1-(cyclopentylmethyl)-1-methylindol-1-ium-3-yl]methyl 3-methoxy-2-(methylcarbamoyl)benzoate Traditional Name: 3-methoxy-2-(methylcarbamoyl)benzoic acid [1-(cyclopentylmethyl)-1-methyl-indol-1-ium-3-yl]methyl ester Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(C=CC=C1OC)C(=O)OCC2=C[N+](C3=CC=CC=C32)(C)CC4CCCC4

Isomeric SMILES

CNC(=O)C1=C(C=CC=C1OC)C(=O)OCC2=C[N+](C3=CC=CC=C32)(C)CC4CCCC4

InChI

InChI=1S/C26H30N2O4/c1-27-25(29)24-21(12-8-14-23(24)31-3)26(30)32-17-19-16-28(2,15-18-9-4-5-10-18)22-13-7-6-11-20(19)22/h6-8,11-14,16,18H,4-5,9-10,15,17H2,1-3H3/p+1