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

Systemtic Name: 2-azanyl-1-[2-(3,4-dichlorophenyl)-3-(3,5-dimethylphenyl)carbonyl-1-(phenylmethyl)-1-piperidin-4-yl-piperazin-1-ium-2-yl]ethanone Openeye Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-3-(3,5-dimethylbenzoyl)-1-(4-piperidyl)piperazin-1-ium-2-yl]ethanone CAS Name: 2-amino-1-[2-(3,4-dichlorophenyl)-3-[(3,5-dimethylphenyl)-oxomethyl]-1-(phenylmethyl)-1-(4-piperidinyl)-2-piperazin-1-iumyl]ethanone IUPAC Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-3-(3,5-dimethylbenzoyl)-1-piperidin-4-ylpiperazin-1-ium-2-yl]ethanone Traditional Name: 2-amino-1-[1-benzyl-2-(3,4-dichlorophenyl)-3-(3,5-dimethylbenzoyl)-1-(4-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)C2C([N+](CCN2)(CC3=CC=CC=C3)C4CCNCC4)(C5=CC(=C(C=C5)Cl)Cl)C(=O)CN)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)C2C([N+](CCN2)(CC3=CC=CC=C3)C4CCNCC4)(C5=CC(=C(C=C5)Cl)Cl)C(=O)CN)C

InChI

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