methyl 1-(1H-imidazol-5-ylmethyl)-3-methylsulfanyl-4-naphthalen-1-yl-3-(propylcarbamoyl)-2H-pyrrol-1-ium-1-carboxylate

Systemtic Name: methyl 1-(1H-imidazol-5-ylmethyl)-3-methylsulfanyl-4-naphthalen-1-yl-3-(propylcarbamoyl)-2H-pyrrol-1-ium-1-carboxylate Openeye Name: methyl 1-(1H-imidazol-5-ylmethyl)-3-methylsulfanyl-4-(1-naphthyl)-3-(propylcarbamoyl)-2H-pyrrol-1-ium-1-carboxylate CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-(methylthio)-4-(1-naphthalenyl)-3-[oxo(propylamino)methyl]-2H-pyrrol-1-ium-1-carboxylic acid methyl ester IUPAC Name: methyl 1-(1H-imidazol-5-ylmethyl)-3-methylsulfanyl-4-naphthalen-1-yl-3-(propylcarbamoyl)-2H-pyrrol-1-ium-1-carboxylate Traditional Name: 1-(1H-imidazol-5-ylmethyl)-3-(methylthio)-4-(1-naphthyl)-3-(propylcarbamoyl)-2-pyrrolin-1-ium-1-carboxylic acid methyl ester Formula: C25H29N4O3S+ MolecularWeight: 465.58776

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1(C[N+](C=C1C2=CC=CC3=CC=CC=C32)(CC4=CN=CN4)C(=O)OC)SC

Isomeric SMILES

CCCNC(=O)C1(C[N+](C=C1C2=CC=CC3=CC=CC=C32)(CC4=CN=CN4)C(=O)OC)SC

InChI

InChI=1S/C25H28N4O3S/c1-4-12-27-23(30)25(33-3)16-29(24(31)32-2,14-19-13-26-17-28-19)15-22(25)21-11-7-9-18-8-5-6-10-20(18)21/h5-11,13,15,17H,4,12,14,16H2,1-3H3,(H-,26,27,28,30)/p+1