4-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide

Systemtic Name: 4-(3-oxidanylidene-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]butanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide CAS Name: 4-(3-oxo-1,4-benzothiazin-4-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]butanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3-oxo-1,4-benzothiazin-4-yl)butanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-4-(3-keto-1,4-benzothiazin-4-yl)butyramide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CCCN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CCCN2C(=O)CSC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c28-23(11-6-14-27-21-9-4-5-10-22(21)30-18-24(27)29)25-20-12-15-26(16-13-20)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2,(H,25,28)/p+1