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

Systemtic Name: methyl 4-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]-4-methyl-1H-indole-2-carboxylate CAS Name: 4-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]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-benzylpiperidin-1-ium-1-yl)acetyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=C2NC(=O)C[NH+]3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

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