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

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-yl)ethanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-1-piperidyl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidinyl]-1-oxoethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-yl)acetyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidino)acetyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H34N5O5+ MolecularWeight: 472.55726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

InChI=1S/C24H33N5O5/c1-33-16-6-7-17-18(14-16)26-21(22(31)34-2)20(17)27-19(30)15-28-12-8-24(9-13-28,23(25)32)29-10-4-3-5-11-29/h6-7,14,26H,3-5,8-13,15H2,1-2H3,(H2,25,32)(H,27,30)/p+1