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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloranyl-4-methyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloro-4-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-chloro-4-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-chloro-4-methylphenyl)methanone Traditional Name: (3-chloro-4-methyl-phenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3/c1-14-2-4-16(11-17(14)21)20(24)23-8-6-22(7-9-23)12-15-3-5-18-19(10-15)26-13-25-18/h2-5,10-11H,6-9,12-13H2,1H3/p+1