ethyl 4-[ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]amino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]carbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C24H42N4O3+2 MolecularWeight: 434.61528

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=C(NC(=C3C)C(=O)OCC)C

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=C(NC(=C3C)C(=O)OCC)C

InChI

InChI=1S/C24H40N4O3/c1-6-27(23(29)21-17(3)22(25-18(21)4)24(30)31-7-2)16-19-8-14-28(15-9-19)20-10-12-26(5)13-11-20/h19-20,25H,6-16H2,1-5H3/p+2