dimethyl-[(1S)-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(2-methylquinazolin-4-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(2-methylquinazolin-4-yl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[(2-methylquinazolin-4-yl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NCC(C3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H24N4OS/c1-15-23-18-12-8-7-11-17(18)21(24-15)27-14-20(26)22-13-19(25(2)3)16-9-5-4-6-10-16/h4-12,19H,13-14H2,1-3H3,(H,22,26)/p+1/t19-/m1/s1