N-cyclohexyl-2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]ethanamide

Systemtic Name: N-cyclohexyl-2-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]ethanamide Openeye Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethoxy]-N-cyclohexyl-acetamide CAS Name: N-cyclohexyl-2-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethoxy]acetamide IUPAC Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethoxy]-N-cyclohexylacetamide Traditional Name: 2-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethoxy]-N-cyclohexyl-acetamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)COCC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c31-25(28-24-14-8-3-9-15-24)20-33-21-26(32)29-16-18-30(19-17-29)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24,27H,3,8-9,14-21H2,(H,28,31)/p+1