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

Systemtic Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Openeye Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione CAS Name: 4-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Traditional Name: 4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-1H-quinazoline-2-thione Formula: C17H25N4S+ MolecularWeight: 317.4722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=NC(=S)NC3=CC=CC=C32

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=NC(=S)NC3=CC=CC=C32

InChI

InChI=1S/C17H24N4S/c1-13-7-11-21(12-8-13)10-4-9-18-16-14-5-2-3-6-15(14)19-17(22)20-16/h2-3,5-6,13H,4,7-12H2,1H3,(H2,18,19,20,22)/p+1