3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-benzo[g]quinazolin-4-one

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-benzo[g]quinazolin-4-one Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-benzo[g]quinazolin-4-one CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-2-sulfanylidene-1H-benzo[g]quinazolin-4-one IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-sulfanylidene-1H-benzo[g]quinazolin-4-one Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-2-thioxo-1H-benzo[g]quinazolin-4-one Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC4=CC=CC=C4C=C3NC2=S

Isomeric SMILES

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC4=CC=CC=C4C=C3NC2=S

InChI

InChI=1S/C21H25N3OS/c25-20-18-14-16-8-3-4-9-17(16)15-19(18)22-21(26)24(20)13-7-12-23-10-5-1-2-6-11-23/h3-4,8-9,14-15H,1-2,5-7,10-13H2,(H,22,26)/p+1