(3S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-3-ol

Systemtic Name: (3S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Openeye Name: (3S)-1-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-3-ol CAS Name: (3S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-3-pyrrolidin-1-iumol IUPAC Name: (3S)-1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Traditional Name: (3S)-1-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]pyrrolidin-1-ium-3-ol Formula: C16H30N3O4S+ MolecularWeight: 360.4921

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCC(C2)O

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CC[C@@H](C2)O

InChI

InChI=1S/C16H29N3O4S/c1-13(2)5-9-24(21,22)16-17-10-14(19(16)7-8-23-3)11-18-6-4-15(20)12-18/h10,13,15,20H,4-9,11-12H2,1-3H3/p+1/t15-/m0/s1