N-[(4-chlorophenyl)methyl]-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(4-chlorophenyl)methyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(4-chlorobenzyl)acetamide Formula: C26H29ClN3O+ MolecularWeight: 434.98096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O/c27-24-13-11-21(12-14-24)19-28-25(31)20-29-15-17-30(18-16-29)26(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14,26H,15-20H2,(H,28,31)/p+1