dimethyl-[2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]ethyl]azanium Openeye Name: dimethyl-[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]ethyl]ammonium CAS Name: dimethyl-[2-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]ethyl]azanium Traditional Name: dimethyl-[2-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]ethyl]ammonium Formula: C16H19N4OS+ MolecularWeight: 315.41326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)N=C(S2)N3C=CC=C3

InChI

InChI=1S/C16H18N4OS/c1-19(2)10-7-17-15(21)12-5-6-13-14(11-12)22-16(18-13)20-8-3-4-9-20/h3-6,8-9,11H,7,10H2,1-2H3,(H,17,21)/p+1