methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-(pyridin-2-ylmethyl)azanium

Systemtic Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-(pyridin-2-ylmethyl)azanium Openeye Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-(2-pyridylmethyl)ammonium CAS Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-(2-pyridinylmethyl)ammonium IUPAC Name: methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-(pyridin-2-ylmethyl)azanium Traditional Name: [2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methyl-(2-pyridylmethyl)ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=N1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

C[NH+](CC1=CC=CC=N1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C21H26N4O2S/c1-24(16-19-12-6-7-13-22-19)17-20-15-23-21(28(2,26)27)25(20)14-8-11-18-9-4-3-5-10-18/h3-7,9-10,12-13,15H,8,11,14,16-17H2,1-2H3/p+1