(4-azanylquinazolin-3-ium-2-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: (4-azanylquinazolin-3-ium-2-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: (4-aminoquinazolin-3-ium-2-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: (4-amino-2-quinazolin-3-iumyl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (4-aminoquinazolin-3-ium-2-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: (4-aminoquinazolin-3-ium-2-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C16H20N4S+2 MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3C(=[NH+]2)N

Isomeric SMILES

C[C@H](C1=CC=CS1)[NH+](C)CC2=NC3=CC=CC=C3C(=[NH+]2)N

InChI

InChI=1S/C16H18N4S/c1-11(14-8-5-9-21-14)20(2)10-15-18-13-7-4-3-6-12(13)16(17)19-15/h3-9,11H,10H2,1-2H3,(H2,17,18,19)/p+2/t11-/m1/s1