(7-chloranyl-1,3-benzodioxol-5-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H22ClN2O3+ MolecularWeight: 373.85328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

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