N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpiperidin-1-ium-2-yl]methanamine

Systemtic Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpiperidin-1-ium-2-yl]methanamine Openeye Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpiperidin-1-ium-2-yl]methanamine CAS Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-N-methyl-1-[(2R)-1-methyl-2-piperidin-1-iumyl]methanamine IUPAC Name: N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-[(2R)-1-methylpiperidin-1-ium-2-yl]methanamine Traditional Name: [2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-[[(2R)-1-methylpiperidin-1-ium-2-yl]methyl]amine Formula: C23H37N4O2S+ MolecularWeight: 433.63048

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)CC3CCCC[NH+]3C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)CN(C)C[C@H]3CCCC[NH+]3C

InChI

InChI=1S/C23H36N4O2S/c1-4-30(28,29)23-24-17-22(19-25(2)18-21-14-8-9-15-26(21)3)27(23)16-10-13-20-11-6-5-7-12-20/h5-7,11-12,17,21H,4,8-10,13-16,18-19H2,1-3H3/p+1/t21-/m1/s1