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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropyl-acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-N-(1-cyclohexenyl)-N-cyclopropylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide Traditional Name: N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4-piperonylpiperazin-1-ium-1-yl)acetamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(=CC1)N(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H31N3O3/c27-23(26(20-7-8-20)19-4-2-1-3-5-19)16-25-12-10-24(11-13-25)15-18-6-9-21-22(14-18)29-17-28-21/h4,6,9,14,20H,1-3,5,7-8,10-13,15-17H2/p+1