(2R)-N-(cyclohexylcarbamoyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(cyclohexylcarbamoyl)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)propanamide CAS Name: (2R)-N-[(cyclohexylamino)-oxomethyl]-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)propanamide Traditional Name: (2R)-2-(4-benzhydrylpiperazin-1-ium-1-yl)-N-(cyclohexylcarbamoyl)propionamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c1-21(26(32)29-27(33)28-24-15-9-4-10-16-24)30-17-19-31(20-18-30)25(22-11-5-2-6-12-22)23-13-7-3-8-14-23/h2-3,5-8,11-14,21,24-25H,4,9-10,15-20H2,1H3,(H2,28,29,32,33)/p+1/t21-/m1/s1