N-(4-ethoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(4-ethoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(4-ethoxyphenyl)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-ethoxyphenyl)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-ethoxyphenyl)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-p-phenetyl-propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C22H29N3O2/c1-3-27-20-10-8-19(9-11-20)23-22(26)12-13-24-14-16-25(17-15-24)21-7-5-4-6-18(21)2/h4-11H,3,12-17H2,1-2H3,(H,23,26)/p+1