3-methylbut-2-enyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: 3-methylbut-2-enyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: 3-methylbut-2-enyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: 3-methylbut-2-enyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: 3-methylbut-2-enyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: 3-methylbut-2-enyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C18H23N4+ MolecularWeight: 295.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH2+]C1CCCC2=NC(=NC=C12)C3=CN=CC=C3)C

Isomeric SMILES

CC(=CC[NH2+][C@H]1CCCC2=NC(=NC=C12)C3=CN=CC=C3)C

InChI

InChI=1S/C18H22N4/c1-13(2)8-10-20-16-6-3-7-17-15(16)12-21-18(22-17)14-5-4-9-19-11-14/h4-5,8-9,11-12,16,20H,3,6-7,10H2,1-2H3/p+1/t16-/m0/s1