[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: (3,4-dimethylphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H24N2O3/c1-15-3-5-18(11-16(15)2)21(24)23-9-7-22(8-10-23)13-17-4-6-19-20(12-17)26-14-25-19/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1