N-(2-chloranyl-6-methyl-phenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-(2-chloro-6-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-(2-chloro-6-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-(2-chloro-6-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C25H27ClN3O+ MolecularWeight: 420.95438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN3O/c1-19-9-8-14-22(26)23(19)27-25(30)29-17-15-28(16-18-29)24(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,24H,15-18H2,1H3,(H,27,30)/p+1