N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C22H25N3OS/c1-24(16-21-23-19-7-3-4-8-20(19)27-21)22(26)18-11-9-17(10-12-18)15-25-13-5-2-6-14-25/h3-4,7-12H,2,5-6,13-16H2,1H3/p+1