[(1S)-2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-1-(furan-2-yl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-1-(2-furyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-1-(2-furanyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-1-(furan-2-yl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-1-(2-furyl)ethyl]-dimethyl-ammonium Formula: C18H20ClN2O2S+ MolecularWeight: 363.8816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NCC(C3=CC=CO3)[NH+](C)C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NC[C@@H](C3=CC=CO3)[NH+](C)C)Cl

InChI

InChI=1S/C18H19ClN2O2S/c1-11-6-7-12-15(9-11)24-17(16(12)19)18(22)20-10-13(21(2)3)14-5-4-8-23-14/h4-9,13H,10H2,1-3H3,(H,20,22)/p+1/t13-/m0/s1