[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Systemtic Name: [[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Openeye Name: [[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-(2-thioxo-3-pyridylidene)methanolate CAS Name: [[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methylamino]-(2-sulfanylidene-3-pyridinylidene)methanolate IUPAC Name: [[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate Traditional Name: [[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]amino]-(2-thioxo-3-pyridylidene)methanolate Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=C3C=CC=NC3=S)[O-]

InChI

InChI=1S/C20H25N3OS/c1-15-8-11-23(12-9-15)14-17-6-4-16(5-7-17)13-22-19(24)18-3-2-10-21-20(18)25/h2-7,10,15,22,24H,8-9,11-14H2,1H3