[3-(3,4-dichlorophenyl)-4-oxidanidyl-4-(phenylmethyl)-1-(3-piperidin-1-ylpropyl)piperazine-1,4-diium-1-yl]-(3,5-dimethylphenyl)methanone

Systemtic Name: [3-(3,4-dichlorophenyl)-4-oxidanidyl-4-(phenylmethyl)-1-(3-piperidin-1-ylpropyl)piperazine-1,4-diium-1-yl]-(3,5-dimethylphenyl)methanone Openeye Name: [4-benzyl-3-(3,4-dichlorophenyl)-4-oxido-1-[3-(1-piperidyl)propyl]piperazine-1,4-diium-1-yl]-(3,5-dimethylphenyl)methanone CAS Name: [3-(3,4-dichlorophenyl)-4-oxido-4-(phenylmethyl)-1-[3-(1-piperidinyl)propyl]-1-piperazine-1,4-diiumyl]-(3,5-dimethylphenyl)methanone IUPAC Name: [4-benzyl-3-(3,4-dichlorophenyl)-4-oxido-1-(3-piperidin-1-ylpropyl)piperazine-1,4-diium-1-yl]-(3,5-dimethylphenyl)methanone Traditional Name: [4-benzyl-3-(3,4-dichlorophenyl)-4-oxido-1-(3-piperidinopropyl)piperazine-1,4-diium-1-yl]-(3,5-dimethylphenyl)methanone Formula: C34H42Cl2N3O2+ MolecularWeight: 595.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)[N+]2(CC[N+](C(C2)C3=CC(=C(C=C3)Cl)Cl)(CC4=CC=CC=C4)[O-])CCCN5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)[N+]2(CC[N+](C(C2)C3=CC(=C(C=C3)Cl)Cl)(CC4=CC=CC=C4)[O-])CCCN5CCCCC5)C

InChI

InChI=1S/C34H42Cl2N3O2/c1-26-20-27(2)22-30(21-26)34(40)38(17-9-16-37-14-7-4-8-15-37)18-19-39(41,24-28-10-5-3-6-11-28)33(25-38)29-12-13-31(35)32(36)23-29/h3,5-6,10-13,20-23,33H,4,7-9,14-19,24-25H2,1-2H3/q+1