N-(1,3-benzothiazol-2-yl)-4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-N-[2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-yl)-4-methoxy-N-(2-piperidin-1-ium-1-ylethyl)benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CC[NH+]2CCCCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c1-27-18-11-9-17(10-12-18)21(26)25(16-15-24-13-5-2-6-14-24)22-23-19-7-3-4-8-20(19)28-22/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1