(3-chloranyl-4-methyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methyl-phenyl)methanone CAS Name: (3-chloro-4-methylphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methylphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-chloro-4-methyl-phenyl)methanone Formula: C19H22ClN2O+ MolecularWeight: 329.84378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O/c1-15-7-8-17(13-18(15)20)19(23)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1