(1-methylpyrazol-4-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: (1-methylpyrazol-4-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (1-methylpyrazol-4-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (1-methyl-4-pyrazolyl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (1-methylpyrazol-4-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (1-methylpyrazol-4-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH2+]C2CCCC3=NC(=NC=C23)C4=CN=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4

InChI

InChI=1S/C18H20N6/c1-24-12-13(9-22-24)8-20-16-5-2-6-17-15(16)11-21-18(23-17)14-4-3-7-19-10-14/h3-4,7,9-12,16,20H,2,5-6,8H2,1H3/p+1/t16-/m0/s1