(3R)-1-[2-[(E)-[(2-methylphenyl)-(3-methylthiophen-2-yl)methylidene]amino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride

Systemtic Name: (3R)-1-[2-[(E)-[(2-methylphenyl)-(3-methylthiophen-2-yl)methylidene]amino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride Openeye Name: (3R)-1-[2-[(E)-[(3-methyl-2-thienyl)-(o-tolyl)methylene]amino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride CAS Name: (3R)-1-[2-[(E)-[(2-methylphenyl)-(3-methyl-2-thiophenyl)methylidene]amino]oxyethyl]-3-piperidin-1-iumcarboxylic acid chloride IUPAC Name: (3R)-1-[2-[(E)-[(2-methylphenyl)-(3-methylthiophen-2-yl)methylidene]amino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride Traditional Name: (3R)-1-[2-[(E)-[(3-methyl-2-thienyl)-(o-tolyl)methylene]amino]oxyethyl]piperidin-1-ium-3-carboxylic acid chloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=NOCC[NH+]2CCCC(C2)C(=O)O)C3=CC=CC=C3C.[Cl-]

Isomeric SMILES

CC1=C(SC=C1)/C(=N/OCC[NH+]2CCC[C@H](C2)C(=O)O)/C3=CC=CC=C3C.[Cl-]

InChI

InChI=1S/C21H26N2O3S.ClH/c1-15-6-3-4-8-18(15)19(20-16(2)9-13-27-20)22-26-12-11-23-10-5-7-17(14-23)21(24)25;/h3-4,6,8-9,13,17H,5,7,10-12,14H2,1-2H3,(H,24,25);1H/b22-19+;/t17-;/m1./s1