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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methoxy-benzamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methoxy-benzamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]-4-methoxybenzamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methoxybenzamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]-4-methoxy-benzamide Formula: C23H34N4O2+2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O2/c1-25(2)20-9-5-18(6-10-20)22(27-15-13-26(3)14-16-27)17-24-23(28)19-7-11-21(29-4)12-8-19/h5-12,22H,13-17H2,1-4H3,(H,24,28)/p+2/t22-/m1/s1