methyl 1-[(3-cyanophenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate

Systemtic Name: methyl 1-[(3-cyanophenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate Openeye Name: methyl 1-[(3-cyanophenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate CAS Name: 1-[(3-cyanophenyl)methyl]-2-[[(1-methyl-4-pyridin-1-iumyl)methylamino]-oxomethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-cyanophenyl)methyl]-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylate Traditional Name: 1-(3-cyanobenzyl)-2-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]indole-3-carboxylic acid methyl ester Formula: C26H23N4O3+ MolecularWeight: 439.48582

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C#N)C(=O)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3N2CC4=CC=CC(=C4)C#N)C(=O)OC

InChI

InChI=1S/C26H22N4O3/c1-29-12-10-18(11-13-29)16-28-25(31)24-23(26(32)33-2)21-8-3-4-9-22(21)30(24)17-20-7-5-6-19(14-20)15-27/h3-14H,16-17H2,1-2H3/p+1