4-(1,3-benzothiazol-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]butyramide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c26-21(6-3-7-22-24-19-4-1-2-5-20(19)28-22)23-18-10-8-17(9-11-18)16-25-12-14-27-15-13-25/h1-2,4-5,8-11H,3,6-7,12-16H2,(H,23,26)/p+1