(2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxo-butanenitrile CAS Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]-3-oxobutanenitrile IUPAC Name: (2Z)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-oxobutanenitrile Traditional Name: (2Z)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyronitrile Formula: C18H22N3OS+ MolecularWeight: 328.45178

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C18H21N3OS/c1-13-6-5-9-21(11-13)12-16(22)14(10-19)18-20(2)15-7-3-4-8-17(15)23-18/h3-4,7-8,13H,5-6,9,11-12H2,1-2H3/p+1/b18-14-/t13-/m0/s1