3,4,5-triethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 3,4,5-triethoxy-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C26H38N3O4+ MolecularWeight: 456.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C

InChI

InChI=1S/C26H37N3O4/c1-5-31-23-18-21(19-24(32-6-2)25(23)33-7-3)26(30)27-11-12-28-13-15-29(16-14-28)22-10-8-9-20(4)17-22/h8-10,17-19H,5-7,11-16H2,1-4H3,(H,27,30)/p+1