N-(5-chloranyl-2-methoxy-phenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(diphenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzhydryl-N-(5-chloro-2-methoxy-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-(diphenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzhydryl-N-(5-chloro-2-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzhydryl-N-(5-chloro-2-methoxy-phenyl)piperazin-4-ium-1-carboxamide Formula: C25H27ClN3O2+ MolecularWeight: 436.95378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O2/c1-31-23-13-12-21(26)18-22(23)27-25(30)29-16-14-28(15-17-29)24(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,18,24H,14-17H2,1H3,(H,27,30)/p+1