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

Systemtic Name: methyl 3-[2-(4-aminocarbonyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-carbamoyl-4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-(4-carbamoyl-4-piperidin-1-ium-1-yl-piperidin-1-ium-1-yl)acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H35N5O5+2 MolecularWeight: 473.5652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCC(CC3)(C(=O)N)[NH+]4CCCCC4

InChI

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