N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C26H29ClN3O2+ MolecularWeight: 450.98036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O2/c1-32-24-13-12-22(27)18-23(24)28-25(31)19-29-14-16-30(17-15-29)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18,26H,14-17,19H2,1H3,(H,28,31)/p+1