2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-(3-phenylpropyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone

Systemtic Name: 2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-(3-phenylpropyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(3-phenylpropyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-(3-phenylpropyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(3-phenylpropyl)-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(3-phenylpropyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C35H43Cl2N4O2+ MolecularWeight: 622.64752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CC[N+](C(C2)(C3=CC(=C(C=C3)Cl)Cl)C(=O)CN)(CCCC4=CC=CC=C4)C5CCNCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[N+](C(C2)(C3=CC(=C(C=C3)Cl)Cl)C(=O)CN)(CCCC4=CC=CC=C4)C5CCNCC5)C

InChI

InChI=1S/C35H43Cl2N4O2/c1-25-19-26(2)21-28(20-25)34(43)40-16-18-41(30-12-14-39-15-13-30,17-6-9-27-7-4-3-5-8-27)35(24-40,33(42)23-38)29-10-11-31(36)32(37)22-29/h3-5,7-8,10-11,19-22,30,39H,6,9,12-18,23-24,38H2,1-2H3/q+1