[(3S)-1-(2-azanyl-6-propan-2-yl-pyrimidin-4-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-(2-azanyl-6-propan-2-yl-pyrimidin-4-yl)carbonylpiperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: [(3S)-1-(2-amino-6-isopropyl-pyrimidine-4-carbonyl)-3-piperidyl]-benzyl-methyl-ammonium CAS Name: [(3S)-1-[(2-amino-6-propan-2-yl-4-pyrimidinyl)-oxomethyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: [(3S)-1-(2-amino-6-propan-2-ylpyrimidine-4-carbonyl)piperidin-3-yl]-benzyl-methylazanium Traditional Name: [(3S)-1-(2-amino-6-isopropyl-pyrimidine-4-carbonyl)-3-piperidyl]-benzyl-methyl-ammonium Formula: C21H30N5O+ MolecularWeight: 368.4958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3)N

InChI

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