ethyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H33N3O3+2 MolecularWeight: 375.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-2-27-21(26)19-8-10-22(11-9-19)17-20(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3/p+2