4-[3-(2-ethylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione

Systemtic Name: 4-[3-(2-ethylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Openeye Name: 4-[3-(2-ethylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione CAS Name: 4-[3-(2-ethyl-1-piperidin-1-iumyl)propylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[3-(2-ethylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Traditional Name: 4-[3-(2-ethylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Formula: C18H27N4S+ MolecularWeight: 331.49878

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CCCNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CCC1CCCC[NH+]1CCCNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C18H26N4S/c1-2-14-8-5-6-12-22(14)13-7-11-19-17-15-9-3-4-10-16(15)20-18(23)21-17/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H2,19,20,21,23)/p+1