2-(4-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione

Systemtic Name: 2-(4-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Openeye Name: 2-(4-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione CAS Name: 2-(4-nitrophenyl)-1-[2-(1-piperazin-4-iumyl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-thione IUPAC Name: 2-(4-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Traditional Name: 2-(4-nitrophenyl)-1-(2-piperazin-4-ium-1-ylethyl)-5,6,7,8-tetrahydroquinazoline-4-thione Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=S)N=C(N2CCN3CC[NH2+]CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=S)N=C(N2CCN3CC[NH2+]CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O2S/c26-25(27)16-7-5-15(6-8-16)19-22-20(28)17-3-1-2-4-18(17)24(19)14-13-23-11-9-21-10-12-23/h5-8,21H,1-4,9-14H2/p+1