N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenyl-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-3-phenylpropanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)-3-phenylpropanamide Traditional Name: N-(6-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=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCC[NH+]3CCOCC3)C(=O)CCC4=CC=CC=C4

InChI

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