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

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

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