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

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propanamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propanamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-phenoxypropanamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxypropanamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-phenoxy-propionamide Formula: C23H28N3O3S+ MolecularWeight: 426.55172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CC[NH+]3CCOCC3)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O3S/c1-18-7-8-20-21(17-18)30-23(24-20)26(11-10-25-12-15-28-16-13-25)22(27)9-14-29-19-5-3-2-4-6-19/h2-8,17H,9-16H2,1H3/p+1