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

Systemtic Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Openeye Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine CAS Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methyl-4-piperidin-1-iumyl)methyl]ethanamine IUPAC Name: N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(4-methoxyphenyl)-N-[(1-methylpiperidin-1-ium-4-yl)methyl]ethanamine Traditional Name: 2-(4-methoxyphenyl)ethyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-(piazthiol-5-ylmethyl)amine Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4OS/c1-26-12-9-19(10-13-26)16-27(14-11-18-3-6-21(28-2)7-4-18)17-20-5-8-22-23(15-20)25-29-24-22/h3-8,15,19H,9-14,16-17H2,1-2H3/p+1