5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-2-methylsulfonyl-1-(3-phenylpropyl)imidazole

Systemtic Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-2-methylsulfonyl-1-(3-phenylpropyl)imidazole Openeye Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-2-methylsulfonyl-1-(3-phenylpropyl)imidazole CAS Name: 5-[[(3S)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-2-methylsulfonyl-1-(3-phenylpropyl)imidazole IUPAC Name: 5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-2-methylsulfonyl-1-(3-phenylpropyl)imidazole Traditional Name: 2-mesyl-5-[[(3S)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-1-(3-phenylpropyl)imidazole Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC[C@H]1CC[NH+](C1)CC2=CN=C(N2CCCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C20H29N3O3S/c1-26-16-18-10-12-22(14-18)15-19-13-21-20(27(2,24)25)23(19)11-6-9-17-7-4-3-5-8-17/h3-5,7-8,13,18H,6,9-12,14-16H2,1-2H3/p+1/t18-/m0/s1