methyl 6-methyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methyl-3-[2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate CAS Name: 6-methyl-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-6-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3/c1-17-8-9-20-21(14-17)26-24(25(30)31-2)23(20)27-22(29)16-28-12-10-19(11-13-28)15-18-6-4-3-5-7-18/h3-9,14,19,26H,10-13,15-16H2,1-2H3,(H,27,29)/p+1