N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenylpropanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenylpropanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenyl-propionamide Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4)C

InChI

InChI=1S/C24H29N3O2S/c1-18-8-10-21-23(19(18)2)25-24(30-21)27(13-12-26-14-16-29-17-15-26)22(28)11-9-20-6-4-3-5-7-20/h3-8,10H,9,11-17H2,1-2H3/p+1