1-(6-methoxy-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone

Systemtic Name: 1-(6-methoxy-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone Openeye Name: 1-(6-methoxy-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylidene-ethanone CAS Name: 1-(6-methoxy-1H-indol-3-yl)-2-(methylthio)-2-(1-piperidin-1-iumylidene)ethanone IUPAC Name: 1-(6-methoxy-1H-indol-3-yl)-2-methylsulfanyl-2-piperidin-1-ium-1-ylideneethanone Traditional Name: 1-(6-methoxy-1H-indol-3-yl)-2-(methylthio)-2-piperidin-1-ium-1-ylidene-ethanone Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CN2)C(=O)C(=[N+]3CCCCC3)SC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CN2)C(=O)C(=[N+]3CCCCC3)SC

InChI

InChI=1S/C17H20N2O2S/c1-21-12-6-7-13-14(11-18-15(13)10-12)16(20)17(22-2)19-8-4-3-5-9-19/h6-7,10-11H,3-5,8-9H2,1-2H3/p+1