dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]ethyl]azanium Openeye Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-[(4-nitrophenyl)-oxomethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]ethyl]ammonium Formula: C19H21N4O3S+ MolecularWeight: 385.46004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC[NH+](C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-13-5-4-6-16-17(13)20-19(27-16)22(12-11-21(2)3)18(24)14-7-9-15(10-8-14)23(25)26/h4-10H,11-12H2,1-3H3/p+1