[(8aS)-2-[[(8aR)-4-azaniumyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-8aH-quinazolin-1-id-4-yl]azanium

Systemtic Name: [(8aS)-2-[[(8aR)-4-azaniumyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-8aH-quinazolin-1-id-4-yl]azanium Openeye Name: [(8aS)-2-[[(8aR)-4-azaniumyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-8aH-quinazolin-1-id-4-yl]ammonium CAS Name: [(8aS)-2-[[[(8aR)-4-ammonio-3,8a-dihydroquinazolin-2-yl]methylthio]methyl]-8aH-quinazolin-1-id-4-yl]ammonium IUPAC Name: [(8aS)-2-[[(8aR)-4-azaniumyl-3,8a-dihydroquinazolin-2-yl]methylsulfanylmethyl]-8aH-quinazolin-1-id-4-yl]azanium Traditional Name: [(8aS)-2-[[[(8aR)-4-ammonio-3,8a-dihydroquinazolin-2-yl]methylthio]methyl]-8aH-quinazolin-1-id-4-yl]ammonium Formula: C18H21N6S+ MolecularWeight: 353.46454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(=C(N=C([N-]2)CSCC3=NC4C=CC=CC4=C(N3)[NH3+])[NH3+])C=C1

Isomeric SMILES

C1=C[C@H]2C(=C(N=C([N-]2)CSCC3=N[C@@H]4C=CC=CC4=C(N3)[NH3+])[NH3+])C=C1

InChI

InChI=1S/C18H19N6S/c19-17-11-5-1-3-7-13(11)21-15(23-17)9-25-10-16-22-14-8-4-2-6-12(14)18(20)24-16/h1-8,13-14H,9-10,19-20H2,(H-,21,22,23,24)/q-1/p+2/t13-,14+