2-[4-[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carbonyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-[(2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carbonyl]piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: 2-[4-[(2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotoyl]piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide Formula: C25H39N4O4+ MolecularWeight: 459.60156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)N2CC[NH+](CC2)CC(=O)N(C)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H38N4O4/c1-5-6-13-29-22(30)12-11-21(24(29)19-7-9-20(33-4)10-8-19)25(32)28-16-14-27(15-17-28)18-23(31)26(2)3/h7-10,21,24H,5-6,11-18H2,1-4H3/p+1/t21-,24-/m0/s1