2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-methyl-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-methylphenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-methylphenol Traditional Name: 2-methoxy-4-methyl-6-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N2O4/c1-15-9-17(21(24)20(10-15)25-2)13-23-7-5-22(6-8-23)12-16-3-4-18-19(11-16)27-14-26-18/h3-4,9-11,24H,5-8,12-14H2,1-2H3/p+1