ethyl 4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C19H31N5O3+2 MolecularWeight: 377.48114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H29N5O3/c1-2-27-19(26)24-9-6-16(7-10-24)21-18(25)15-22-11-13-23(14-12-22)17-5-3-4-8-20-17/h3-5,8,16H,2,6-7,9-15H2,1H3,(H,21,25)/p+2