(3S,4R,5S,6S)-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-6-oxidanyl-4-pyridin-3-yl-2-sulfanylidene-piperidine-3-carbonitrile

Systemtic Name: (3S,4R,5S,6S)-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-6-oxidanyl-4-pyridin-3-yl-2-sulfanylidene-piperidine-3-carbonitrile Openeye Name: (3S,4R,5S,6S)-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-2-thioxo-piperidine-3-carbonitrile CAS Name: (3S,4R,5S,6S)-6-hydroxy-6-methyl-5-(2-methyl-1-pyridin-1-iumyl)-4-(3-pyridinyl)-2-sulfanylidene-3-piperidinecarbonitrile IUPAC Name: (3S,4R,5S,6S)-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-pyridin-3-yl-2-sulfanylidenepiperidine-3-carbonitrile Traditional Name: (3S,4R,5S,6S)-6-hydroxy-6-methyl-5-(2-methylpyridin-1-ium-1-yl)-4-(3-pyridyl)-2-thioxo-nipecotonitrile Formula: C18H19N4OS+ MolecularWeight: 339.43466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C2C(C(C(=S)NC2(C)O)C#N)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=CC=[N+]1[C@H]2[C@H]([C@H](C(=S)N[C@@]2(C)O)C#N)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-12-6-3-4-9-22(12)16-15(13-7-5-8-20-11-13)14(10-19)17(24)21-18(16,2)23/h3-9,11,14-16,23H,1-2H3/p+1/t14-,15+,16+,18+/m1/s1