3-chloranyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: 3-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide CAS Name: 3-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: 3-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: 3-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Formula: C22H31ClN4O+2 MolecularWeight: 402.96074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[NH+]1CC[NH+](CC1)[C@H](CNC(=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H29ClN4O/c1-25(2)20-9-7-17(8-10-20)21(27-13-11-26(3)12-14-27)16-24-22(28)18-5-4-6-19(23)15-18/h4-10,15,21H,11-14,16H2,1-3H3,(H,24,28)/p+2/t21-/m1/s1