2-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[2-methylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[2-mesyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N3O2S/c1-29(27,28)23-24-16-22(26(23)14-7-10-19-8-3-2-4-9-19)18-25-15-13-20-11-5-6-12-21(20)17-25/h2-6,8-9,11-12,16H,7,10,13-15,17-18H2,1H3/p+1