(3S)-3-(3-methyl-4-nitro-phenoxy)pyrrolidin-1-ium

Systemtic Name: (3S)-3-(3-methyl-4-nitro-phenoxy)pyrrolidin-1-ium Openeye Name: (3S)-3-(3-methyl-4-nitro-phenoxy)pyrrolidin-1-ium CAS Name: (3S)-3-(3-methyl-4-nitrophenoxy)pyrrolidin-1-ium IUPAC Name: (3S)-3-(3-methyl-4-nitrophenoxy)pyrrolidin-1-ium Traditional Name: (3S)-3-(3-methyl-4-nitro-phenoxy)pyrrolidin-1-ium Formula: C11H15N2O3+ MolecularWeight: 223.2484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2CC[NH2+]C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)O[C@H]2CC[NH2+]C2)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O3/c1-8-6-9(2-3-11(8)13(14)15)16-10-4-5-12-7-10/h2-3,6,10,12H,4-5,7H2,1H3/p+1/t10-/m0/s1