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

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-methoxy-6-[(4-piperonylpiperazin-1-ium-1-yl)methyl]phenol Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4)CC=C

InChI

InChI=1S/C23H28N2O4/c1-3-4-17-11-19(23(26)22(12-17)27-2)15-25-9-7-24(8-10-25)14-18-5-6-20-21(13-18)29-16-28-20/h3,5-6,11-13,26H,1,4,7-10,14-16H2,2H3/p+1