(2S)-N-(4-piperidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-piperidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[4-(1-piperidyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[4-(1-piperidinyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-piperidin-1-ylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-piperidinophenyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H30N6O/c1-18(26-14-16-28(17-15-26)22-23-10-5-11-24-22)21(29)25-19-6-8-20(9-7-19)27-12-3-2-4-13-27/h5-11,18H,2-4,12-17H2,1H3,(H,25,29)/p+1/t18-/m0/s1