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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H]1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H28N2O2/c1-15-3-2-4-17(11-15)21-9-7-20(8-10-21)13-16-5-6-18-19(12-16)23-14-22-18/h5-6,12,15,17H,2-4,7-11,13-14H2,1H3/p+1/t15-,17-/m0/s1