(5-chloranylthiophen-2-yl)methyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium

Systemtic Name: (5-chloranylthiophen-2-yl)methyl-methyl-[3-oxidanylidene-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Openeye Name: (5-chloro-2-thienyl)methyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium CAS Name: (5-chloro-2-thiophenyl)methyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]ammonium IUPAC Name: (5-chlorothiophen-2-yl)methyl-methyl-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]azanium Traditional Name: (5-chloro-2-thienyl)methyl-[3-keto-3-[[(1S)-1-phenylethyl]amino]propyl]-methyl-ammonium Formula: C17H22ClN2OS+ MolecularWeight: 337.88738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CC[NH+](C)CC2=CC=C(S2)Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CC[NH+](C)CC2=CC=C(S2)Cl

InChI

InChI=1S/C17H21ClN2OS/c1-13(14-6-4-3-5-7-14)19-17(21)10-11-20(2)12-15-8-9-16(18)22-15/h3-9,13H,10-12H2,1-2H3,(H,19,21)/p+1/t13-/m0/s1