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

Systemtic Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrophenyl)carbonyl-amino]propyl]azanium Openeye Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-[(4-nitrophenyl)-oxomethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(4-methyl-1,3-benzothiazol-2-yl)-(4-nitrobenzoyl)amino]propyl]ammonium Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-14-6-4-7-17-18(14)21-20(28-17)23(13-5-12-22(2)3)19(25)15-8-10-16(11-9-15)24(26)27/h4,6-11H,5,12-13H2,1-3H3/p+1