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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(3-phenylpropyl)-4-piperonyl-piperazin-1-ium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CCCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O2/c1-2-5-18(6-3-1)7-4-10-22-11-13-23(14-12-22)16-19-8-9-20-21(15-19)25-17-24-20/h1-3,5-6,8-9,15H,4,7,10-14,16-17H2/p+1