3-chloranyl-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione

Systemtic Name: 3-chloranyl-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione Openeye Name: 3-chloro-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione CAS Name: 3-chloro-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione IUPAC Name: 3-chloro-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione Traditional Name: 3-chloro-5,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-11-ium-12-thione Formula: C13H14ClN2S+ MolecularWeight: 265.78166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[N+](CC1)C(=S)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

C1CCC2=[N+](CC1)C(=S)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C13H13ClN2S/c14-9-5-6-10-11(8-9)15-12-4-2-1-3-7-16(12)13(10)17/h5-6,8H,1-4,7H2/p+1