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

Systemtic Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: (1-ethyl-3-methyl-4-pyrazolyl)methyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: (1-ethyl-3-methylpyrazol-4-yl)methyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: (1-ethyl-3-methyl-pyrazol-4-yl)methyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C20H25N6+ MolecularWeight: 349.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C[NH2+]C2CCCC3=NC(=NC=C23)C4=CN=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C[NH2+][C@H]2CCCC3=NC(=NC=C23)C4=CN=CC=C4

InChI

InChI=1S/C20H24N6/c1-3-26-13-16(14(2)25-26)11-22-18-7-4-8-19-17(18)12-23-20(24-19)15-6-5-9-21-10-15/h5-6,9-10,12-13,18,22H,3-4,7-8,11H2,1-2H3/p+1/t18-/m0/s1