3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C19H23N2O3+ MolecularWeight: 327.39752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O3/c22-17-3-1-2-15(10-17)12-20-6-8-21(9-7-20)13-16-4-5-18-19(11-16)24-14-23-18/h1-5,10-11,22H,6-9,12-14H2/p+1