N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(4-benzyloxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide CAS Name: N-[7-(4-morpholinyl)-4-phenylmethoxy-1,3-benzothiazol-2-yl]-4-(1-pyridin-1-iumylmethyl)benzamide IUPAC Name: N-(7-morpholin-4-yl-4-phenylmethoxy-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(4-benzoxy-7-morpholino-1,3-benzothiazol-2-yl)-4-(pyridin-1-ium-1-ylmethyl)benzamide Formula: C31H29N4O3S+ MolecularWeight: 537.65196

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=C(C=C2)OCC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)C[N+]6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=C3C(=C(C=C2)OCC4=CC=CC=C4)N=C(S3)NC(=O)C5=CC=C(C=C5)C[N+]6=CC=CC=C6

InChI

InChI=1S/C31H28N4O3S/c36-30(25-11-9-23(10-12-25)21-34-15-5-2-6-16-34)33-31-32-28-27(38-22-24-7-3-1-4-8-24)14-13-26(29(28)39-31)35-17-19-37-20-18-35/h1-16H,17-22H2/p+1