N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2S/c1-19-7-5-10-21-23(19)25-24(30-21)27(14-6-13-26-15-17-29-18-16-26)22(28)12-11-20-8-3-2-4-9-20/h2-5,7-10H,6,11-18H2,1H3/p+1