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

Systemtic Name: 2-azanyl-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-1-(phenylmethyl)-1-piperidin-3-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(3-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-(phenylmethyl)-1-(3-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-piperidin-3-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)-1-(3-piperidyl)piperazin-1-ium-2-yl]ethanone Formula: C33H39Cl2N4O2+ MolecularWeight: 594.59436

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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)(CC4=CC=CC=C4)C5CCCNC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CC[N+](C(C2)(C3=CC(=C(C=C3)Cl)Cl)C(=O)CN)(CC4=CC=CC=C4)C5CCCNC5)C

InChI

InChI=1S/C33H39Cl2N4O2/c1-23-15-24(2)17-26(16-23)32(41)38-13-14-39(28-9-6-12-37-20-28,21-25-7-4-3-5-8-25)33(22-38,31(40)19-36)27-10-11-29(34)30(35)18-27/h3-5,7-8,10-11,15-18,28,37H,6,9,12-14,19-22,36H2,1-2H3/q+1