N-methyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine

Systemtic Name: N-methyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine Openeye Name: N-methyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamine CAS Name: N-methyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-2-(1-piperidin-1-iumyl)ethanamine IUPAC Name: N-methyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-piperidin-1-ium-1-ylethanamine Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-piperidin-1-ium-1-ylethyl)amine Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC[NH+]1CCCCC1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CN(CC[NH+]1CCCCC1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C22H34N4O2S/c1-24(16-17-25-13-7-4-8-14-25)19-21-18-23-22(29(2,27)28)26(21)15-9-12-20-10-5-3-6-11-20/h3,5-6,10-11,18H,4,7-9,12-17,19H2,1-2H3/p+1