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

Systemtic Name: 5-chloranyl-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-2-methoxy-benzamide Formula: C23H33ClN4O2+2 MolecularWeight: 432.98672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31ClN4O2/c1-26(2)19-8-5-17(6-9-19)21(28-13-11-27(3)12-14-28)16-25-23(29)20-15-18(24)7-10-22(20)30-4/h5-10,15,21H,11-14,16H2,1-4H3,(H,25,29)/p+2/t21-/m1/s1