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

Systemtic Name: (3-chloranyl-4-methyl-phenyl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chloro-4-methyl-phenyl)methanone CAS Name: (3-chloro-4-methylphenyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chloro-4-methylphenyl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(3-chloro-4-methyl-phenyl)methanone Formula: C25H26ClN2O+ MolecularWeight: 405.93974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H25ClN2O/c1-19-12-13-22(18-23(19)26)25(29)28-16-14-27(15-17-28)24(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,24H,14-17H2,1H3/p+1