4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline Openeye Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethyl-aniline CAS Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]prop-1-enyl]-N,N-dimethylaniline IUPAC Name: 4-[(E)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]prop-1-enyl]-N,N-dimethylaniline Traditional Name: dimethyl-[4-[(E)-3-(4-piperonylpiperazin-1-ium-1-yl)prop-1-enyl]phenyl]amine Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O2/c1-24(2)21-8-5-19(6-9-21)4-3-11-25-12-14-26(15-13-25)17-20-7-10-22-23(16-20)28-18-27-22/h3-10,16H,11-15,17-18H2,1-2H3/p+1/b4-3+