N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-ethyl-2-[4-(o-tolyl)piperazin-1-ium-1-yl]-N-piperonyl-acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C23H29N3O3/c1-3-25(15-19-8-9-21-22(14-19)29-17-28-21)23(27)16-24-10-12-26(13-11-24)20-7-5-4-6-18(20)2/h4-9,14H,3,10-13,15-17H2,1-2H3/p+1