[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]-methyl-(3-thenyl)ammonium Formula: C15H18BrN2OS+ MolecularWeight: 354.28522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CSC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=CSC=C2)Br

InChI

InChI=1S/C15H17BrN2OS/c1-11-7-13(3-4-14(11)16)17-15(19)9-18(2)8-12-5-6-20-10-12/h3-7,10H,8-9H2,1-2H3,(H,17,19)/p+1