2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-phenacyl-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-phenacyl-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-phenacyl-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-phenacyl-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-phenacyl-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-phenacyl-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C34H39Cl2N4O3+ MolecularWeight: 622.60446

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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)(CC(=O)C4=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)(CC(=O)C4=CC=CC=C4)C5CCNCC5)C

InChI

InChI=1S/C34H39Cl2N4O3/c1-23-16-24(2)18-26(17-23)33(43)39-14-15-40(28-10-12-38-13-11-28,21-31(41)25-6-4-3-5-7-25)34(22-39,32(42)20-37)27-8-9-29(35)30(36)19-27/h3-9,16-19,28,38H,10-15,20-22,37H2,1-2H3/q+1