4-butoxy-3-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide

Systemtic Name: 4-butoxy-3-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Openeye Name: 4-butoxy-3-methoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: 4-butoxy-3-methoxy-N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]benzamide IUPAC Name: 4-butoxy-3-methoxy-N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzamide Traditional Name: 4-butoxy-3-methoxy-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC(=C3)C)OC

InChI

InChI=1S/C25H35N3O3/c1-4-5-17-31-23-10-9-21(19-24(23)30-3)25(29)26-11-12-27-13-15-28(16-14-27)22-8-6-7-20(2)18-22/h6-10,18-19H,4-5,11-17H2,1-3H3,(H,26,29)/p+1