N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-[2-(4-morpholin-4-iumyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(2-morpholin-4-ium-4-ylethyl)benzamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S/c1-2-28-18-9-7-17(8-10-18)21(26)25(12-11-24-13-15-27-16-14-24)22-23-19-5-3-4-6-20(19)29-22/h3-10H,2,11-16H2,1H3/p+1