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

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]benzamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-23-12-14-24(15-13-23)20(17-8-10-19(26-2)11-9-17)16-22-21(25)18-6-4-3-5-7-18/h3-11,20H,12-16H2,1-2H3,(H,22,25)/p+2/t20-/m1/s1