(2S)-N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[(2S)-2-phenylbutyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-[(2S)-2-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[(2S)-2-phenylbutyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propionamide Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=NC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C21H29N5O/c1-3-18(19-8-5-4-6-9-19)16-24-20(27)17(2)25-12-14-26(15-13-25)21-22-10-7-11-23-21/h4-11,17-18H,3,12-16H2,1-2H3,(H,24,27)/p+1/t17-,18+/m0/s1