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

Systemtic Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylamino]-1H-quinazoline-2-thione Openeye Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylamino]-1H-quinazoline-2-thione CAS Name: 4-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propylamino]-1H-quinazoline-2-thione IUPAC Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylamino]-1H-quinazoline-2-thione Traditional Name: 4-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propylamino]-1H-quinazoline-2-thione Formula: C21H25ClN5S+ MolecularWeight: 414.9747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=NC(=S)NC3=CC=CC=C32)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=NC(=S)NC3=CC=CC=C32)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H24ClN5S/c22-16-5-3-6-17(15-16)27-13-11-26(12-14-27)10-4-9-23-20-18-7-1-2-8-19(18)24-21(28)25-20/h1-3,5-8,15H,4,9-14H2,(H2,23,24,25,28)/p+1