(2R)-N-(diphenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-(diphenylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-benzhydryl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(diphenylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-benzhydryl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-benzhydryl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C24H28N5O+ MolecularWeight: 402.51202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H27N5O/c1-19(28-15-17-29(18-16-28)24-25-13-8-14-26-24)23(30)27-22(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-14,19,22H,15-18H2,1H3,(H,27,30)/p+1/t19-/m1/s1