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

Systemtic Name: [(3S)-1-(2-azanyl-6-methyl-pyrimidin-4-yl)carbonylpiperidin-3-yl]-methyl-phenethyl-azanium Openeye Name: [(3S)-1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium CAS Name: [(3S)-1-[(2-amino-6-methyl-4-pyrimidinyl)-oxomethyl]-3-piperidinyl]-methyl-phenethylammonium IUPAC Name: [(3S)-1-(2-amino-6-methylpyrimidine-4-carbonyl)piperidin-3-yl]-methyl-phenethylazanium Traditional Name: [(3S)-1-(2-amino-6-methyl-pyrimidine-4-carbonyl)-3-piperidyl]-methyl-phenethyl-ammonium Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)N2CCCC(C2)[NH+](C)CCC3=CC=CC=C3)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N2CCC[C@@H](C2)[NH+](C)CCC3=CC=CC=C3)N

InChI

InChI=1S/C20H27N5O/c1-15-13-18(23-20(21)22-15)19(26)25-11-6-9-17(14-25)24(2)12-10-16-7-4-3-5-8-16/h3-5,7-8,13,17H,6,9-12,14H2,1-2H3,(H2,21,22,23)/p+1/t17-/m0/s1