N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide

Systemtic Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C23H25N3O2S/c1-2-26-13-5-6-18(26)15-24-22(27)17-11-9-16(10-12-17)14-21-23(28)25-19-7-3-4-8-20(19)29-21/h3-4,7-12,14,18H,2,5-6,13,15H2,1H3,(H,24,27)(H,25,28)/p+1