(3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium

Systemtic Name: (3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium Openeye Name: (3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium CAS Name: (3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)-4-imidazolyl]methyl]-3-phenylpiperidin-1-ium IUPAC Name: (3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-phenylpiperidin-1-ium Traditional Name: (3R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-phenyl-piperidin-1-ium Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCCC(C3)C4=CC=CC=C4

Isomeric SMILES

COCCN1C(=CN=C1S(=O)(=O)CC2CC2)C[NH+]3CCC[C@@H](C3)C4=CC=CC=C4

InChI

InChI=1S/C22H31N3O3S/c1-28-13-12-25-21(14-23-22(25)29(26,27)17-18-9-10-18)16-24-11-5-8-20(15-24)19-6-3-2-4-7-19/h2-4,6-7,14,18,20H,5,8-13,15-17H2,1H3/p+1/t20-/m0/s1