6-methyl-5-(2-methyl-1,3-thiazol-3-ium-4-yl)-2-[(phenylmethyl)amino]pyridine-3-carbonitrile

Systemtic Name: 6-methyl-5-(2-methyl-1,3-thiazol-3-ium-4-yl)-2-[(phenylmethyl)amino]pyridine-3-carbonitrile Openeye Name: 2-(benzylamino)-6-methyl-5-(2-methylthiazol-3-ium-4-yl)pyridine-3-carbonitrile CAS Name: 6-methyl-5-(2-methyl-4-thiazol-3-iumyl)-2-[(phenylmethyl)amino]-3-pyridinecarbonitrile IUPAC Name: 2-(benzylamino)-6-methyl-5-(2-methyl-1,3-thiazol-3-ium-4-yl)pyridine-3-carbonitrile Traditional Name: 2-(benzylamino)-6-methyl-5-(2-methylthiazol-3-ium-4-yl)nicotinonitrile Formula: C18H17N4S+ MolecularWeight: 321.41938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)NCC2=CC=CC=C2)C#N)C3=CSC(=[NH+]3)C

Isomeric SMILES

CC1=C(C=C(C(=N1)NCC2=CC=CC=C2)C#N)C3=CSC(=[NH+]3)C

InChI

InChI=1S/C18H16N4S/c1-12-16(17-11-23-13(2)22-17)8-15(9-19)18(21-12)20-10-14-6-4-3-5-7-14/h3-8,11H,10H2,1-2H3,(H,20,21)/p+1