2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)-4-imidazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=CN=C1S(=O)(=O)C2CCCC2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COCCCN1C(=CN=C1S(=O)(=O)C2CCCC2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H31N3O3S/c1-28-14-6-12-25-20(15-23-22(25)29(26,27)21-9-4-5-10-21)17-24-13-11-18-7-2-3-8-19(18)16-24/h2-3,7-8,15,21H,4-6,9-14,16-17H2,1H3/p+1