(2R)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol Openeye Name: (2R)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol CAS Name: (2R)-1-[(3S)-3-methyl-1-piperidin-1-iumyl]-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol IUPAC Name: (2R)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol Traditional Name: (2R)-1-[(3S)-3-methylpiperidin-1-ium-1-yl]-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-2-ol Formula: C19H30N3O6S+ MolecularWeight: 428.523

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@H](COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C19H29N3O6S/c1-15-5-4-8-20(12-15)13-16(23)14-28-19-7-6-17(11-18(19)22(24)25)29(26,27)21-9-2-3-10-21/h6-7,11,15-16,23H,2-5,8-10,12-14H2,1H3/p+1/t15-,16+/m0/s1