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

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC[NH+](CC1)CCCNC(=O)C2=CC=C(C=C2)C=C3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C25H29N3O2S/c29-24(26-14-7-17-28-15-5-1-2-6-16-28)20-12-10-19(11-13-20)18-23-25(30)27-21-8-3-4-9-22(21)31-23/h3-4,8-13,18H,1-2,5-7,14-17H2,(H,26,29)(H,27,30)/p+1