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

Systemtic Name: dimethyl-[3-[(2-pyrrol-1-yl-1,3-benzothiazol-6-yl)carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propyl]ammonium CAS Name: dimethyl-[3-[[oxo-[2-(1-pyrrolyl)-1,3-benzothiazol-6-yl]methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propyl]azanium Traditional Name: dimethyl-[3-[(2-pyrrol-1-yl-1,3-benzothiazole-6-carbonyl)amino]propyl]ammonium Formula: C17H21N4OS+ MolecularWeight: 329.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-20(2)9-5-8-18-16(22)13-6-7-14-15(12-13)23-17(19-14)21-10-3-4-11-21/h3-4,6-7,10-12H,5,8-9H2,1-2H3,(H,18,22)/p+1