(2-benzamido-4,5-dimethyl-thiophen-3-yl)methyl-(3-oxidanylpropyl)azanium

Systemtic Name: (2-benzamido-4,5-dimethyl-thiophen-3-yl)methyl-(3-oxidanylpropyl)azanium Openeye Name: (2-benzamido-4,5-dimethyl-3-thienyl)methyl-(3-hydroxypropyl)ammonium CAS Name: (2-benzamido-4,5-dimethyl-3-thiophenyl)methyl-(3-hydroxypropyl)ammonium IUPAC Name: (2-benzamido-4,5-dimethylthiophen-3-yl)methyl-(3-hydroxypropyl)azanium Traditional Name: (2-benzamido-4,5-dimethyl-3-thienyl)methyl-(3-hydroxypropyl)ammonium Formula: C17H23N2O2S+ MolecularWeight: 319.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C[NH2+]CCCO)NC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C[NH2+]CCCO)NC(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H22N2O2S/c1-12-13(2)22-17(15(12)11-18-9-6-10-20)19-16(21)14-7-4-3-5-8-14/h3-5,7-8,18,20H,6,9-11H2,1-2H3,(H,19,21)/p+1