methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-(thiophen-2-ylmethyl)azanium Openeye Name: methyl-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-(2-thienylmethyl)ammonium CAS Name: methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: methyl-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]-methyl-(2-thenyl)ammonium Formula: C18H21N2OS+ MolecularWeight: 313.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C18H20N2OS/c1-12-17(15-8-4-5-9-16(15)19-12)18(21)13(2)20(3)11-14-7-6-10-22-14/h4-10,13,19H,11H2,1-3H3/p+1/t13-/m0/s1