1,3-benzodioxol-5-ylmethyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium Traditional Name: [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH+](C)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H29N3O3/c1-17-5-4-6-20(18(17)2)25-9-11-26(12-10-25)23(27)15-24(3)14-19-7-8-21-22(13-19)29-16-28-21/h4-8,13H,9-12,14-16H2,1-3H3/p+1