ethyl 1-[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H42N4O3+2 MolecularWeight: 458.63668

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(CC4)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C26H40N4O3/c1-3-27-17-19-30(20-18-27)25(31)21-5-7-23(8-6-21)29-15-11-24(12-16-29)28-13-9-22(10-14-28)26(32)33-4-2/h5-8,22,24H,3-4,9-20H2,1-2H3/p+2