ethyl 4-aminocarbonyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-oxidanylpiperidin-1-yl)piperazin-1-ium-1-carboxylate

Systemtic Name: ethyl 4-aminocarbonyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-oxidanylpiperidin-1-yl)piperazin-1-ium-1-carboxylate Openeye Name: ethyl 4-carbamoyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-hydroxy-1-piperidyl)piperazin-1-ium-1-carboxylate CAS Name: 4-carbamoyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-hydroxy-1-piperidinyl)-1-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-carbamoyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-hydroxypiperidin-1-yl)piperazin-1-ium-1-carboxylate Traditional Name: 4-carbamoyl-1-(4-chlorophenyl)-3-(2,2-diphenylpentyl)-3-(4-hydroxypiperidino)piperazin-1-ium-1-carboxylic acid ethyl ester Formula: C36H46ClN4O4+ MolecularWeight: 634.22784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1(C[N+](CCN1C(=O)N)(C2=CC=C(C=C2)Cl)C(=O)OCC)N3CCC(CC3)O)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(CC1(C[N+](CCN1C(=O)N)(C2=CC=C(C=C2)Cl)C(=O)OCC)N3CCC(CC3)O)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H45ClN4O4/c1-3-21-35(28-11-7-5-8-12-28,29-13-9-6-10-14-29)26-36(39-22-19-32(42)20-23-39)27-41(34(44)45-4-2,25-24-40(36)33(38)43)31-17-15-30(37)16-18-31/h5-18,32,42H,3-4,19-27H2,1-2H3,(H-,38,43)/p+1