N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-phenyl-ethanamine

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-phenyl-ethanamine Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-phenyl-ethanamine CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-2-phenylethanamine IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-2-phenylethanamine Traditional Name: (1-methylpiperidin-1-ium-4-yl)methyl-phenethyl-(piazthiol-5-ylmethyl)amine Formula: C22H29N4S+ MolecularWeight: 381.55746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC4=NSN=C4C=C3

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=CC=C2)CC3=CC4=NSN=C4C=C3

InChI

InChI=1S/C22H28N4S/c1-25-12-9-19(10-13-25)16-26(14-11-18-5-3-2-4-6-18)17-20-7-8-21-22(15-20)24-27-23-21/h2-8,15,19H,9-14,16-17H2,1H3/p+1