4-methyl-2-(2-oxidanylidenepropylsulfanyl)-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-carbonitrile

Systemtic Name: 4-methyl-2-(2-oxidanylidenepropylsulfanyl)-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-4-methyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-carbonitrile CAS Name: 4-methyl-2-(2-oxopropylthio)-6-[[(1R)-1-phenylethyl]amino]-3-pyridin-1-iumcarbonitrile IUPAC Name: 4-methyl-2-(2-oxopropylsulfanyl)-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(acetonylthio)-4-methyl-6-[[(1R)-1-phenylethyl]amino]pyridin-1-ium-3-carbonitrile Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)C)NC(C)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)C)N[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C18H19N3OS/c1-12-9-17(20-14(3)15-7-5-4-6-8-15)21-18(16(12)10-19)23-11-13(2)22/h4-9,14H,11H2,1-3H3,(H,20,21)/p+1/t14-/m1/s1