N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]benzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-24(2)20-11-9-18(10-12-20)21(26-15-13-25(3)14-16-26)17-23-22(27)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,23,27)/p+1/t21-/m1/s1