6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H25N2OS+ MolecularWeight: 329.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC=C2C=CC=CC2=O)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC=C2C=CC=CC2=O)C3=CC=CS3

InChI

InChI=1S/C19H24N2OS/c1-15-8-10-21(11-9-15)17(19-7-4-12-23-19)14-20-13-16-5-2-3-6-18(16)22/h2-7,12-13,15,17,20H,8-11,14H2,1H3/p+1/t17-/m1/s1