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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-yl-piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-ethylpropyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-(1-ethylpropyl)-4-piperonyl-piperazin-1-ium Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H26N2O2/c1-3-15(4-2)19-9-7-18(8-10-19)12-14-5-6-16-17(11-14)21-13-20-16/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3/p+1