4-[2-(2-methylpiperidin-1-ium-1-yl)ethylamino]-1H-quinazoline-2-thione

Systemtic Name: 4-[2-(2-methylpiperidin-1-ium-1-yl)ethylamino]-1H-quinazoline-2-thione Openeye Name: 4-[2-(2-methylpiperidin-1-ium-1-yl)ethylamino]-1H-quinazoline-2-thione CAS Name: 4-[2-(2-methyl-1-piperidin-1-iumyl)ethylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[2-(2-methylpiperidin-1-ium-1-yl)ethylamino]-1H-quinazoline-2-thione Traditional Name: 4-[2-(2-methylpiperidin-1-ium-1-yl)ethylamino]-1H-quinazoline-2-thione Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC1CCCC[NH+]1CCNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C16H22N4S/c1-12-6-4-5-10-20(12)11-9-17-15-13-7-2-3-8-14(13)18-16(21)19-15/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,18,19,21)/p+1