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

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C26H26N3O2S+ MolecularWeight: 444.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O2S/c30-26(21-9-5-20(6-10-21)18-29-13-15-31-16-14-29)27-22-11-7-19(8-12-22)17-25-28-23-3-1-2-4-24(23)32-25/h1-12H,13-18H2,(H,27,30)/p+1