dimethyl-[(2S)-1-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[[(2R)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[[(2R)-3-keto-2-methyl-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl]-dimethyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C21H25N3O2S/c1-14-20(25)23-18-12-16(9-10-19(18)27-14)21(26)22-13-17(24(2)3)11-15-7-5-4-6-8-15/h4-10,12,14,17H,11,13H2,1-3H3,(H,22,26)(H,23,25)/p+1/t14-,17+/m1/s1