2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N=C1C)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

CC1=C(C(=O)N(N=C1C)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C20H21N5OS/c1-13-14(2)23-25(20(26)16(13)10-21)12-24-9-5-6-15(11-24)19-22-17-7-3-4-8-18(17)27-19/h3-4,7-8,15H,5-6,9,11-12H2,1-2H3/p+1/t15-/m1/s1