1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylcyclohexyl)piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylcyclohexyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylcyclohexyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylcyclohexyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylcyclohexyl)piperazin-4-ium Traditional Name: 1-(4-methylcyclohexyl)-4-piperonyl-piperazin-1-ium Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC(CC1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H28N2O2/c1-15-2-5-17(6-3-15)21-10-8-20(9-11-21)13-16-4-7-18-19(12-16)23-14-22-18/h4,7,12,15,17H,2-3,5-6,8-11,13-14H2,1H3/p+1