4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide CAS Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 4-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Formula: C23H25N4O2S+ MolecularWeight: 421.5352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O2S/c1-17-4-2-5-20-21(17)25-23(30-20)27(11-3-10-26-12-14-29-15-13-26)22(28)19-8-6-18(16-24)7-9-19/h2,4-9H,3,10-15H2,1H3/p+1