4-methyl-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: 4-methyl-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]piperidin-1-ium Openeye Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-methyl-piperidin-1-ium CAS Name: 4-methyl-1-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]piperidin-1-ium IUPAC Name: 1-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-4-methylpiperidin-1-ium Traditional Name: 1-[(3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl]-4-methyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CN=C(N2CC3=CC=CC=C3)S(=O)(=O)CC(C)C

InChI

InChI=1S/C21H31N3O2S/c1-17(2)16-27(25,26)21-22-13-20(15-23-11-9-18(3)10-12-23)24(21)14-19-7-5-4-6-8-19/h4-8,13,17-18H,9-12,14-16H2,1-3H3/p+1