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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(m-tolyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-methylphenyl)methanone Traditional Name: m-tolyl-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-15-3-2-4-17(11-15)20(23)22-9-7-21(8-10-22)13-16-5-6-18-19(12-16)25-14-24-18/h2-6,11-12H,7-10,13-14H2,1H3/p+1