[(2S)-1-ethylpyrrolidin-2-yl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]azanium

Systemtic Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]azanium Openeye Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(4-methoxy-3-nitro-phenyl)methyl]ammonium CAS Name: [(2S)-1-ethyl-2-pyrrolidinyl]methyl-[(4-methoxy-3-nitrophenyl)methyl]ammonium IUPAC Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-[(4-methoxy-3-nitrophenyl)methyl]azanium Traditional Name: [(2S)-1-ethylpyrrolidin-2-yl]methyl-(4-methoxy-3-nitro-benzyl)ammonium Formula: C15H24N3O3+ MolecularWeight: 294.36936

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1C[NH2+]CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCC[C@H]1C[NH2+]CC2=CC(=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O3/c1-3-17-8-4-5-13(17)11-16-10-12-6-7-15(21-2)14(9-12)18(19)20/h6-7,9,13,16H,3-5,8,10-11H2,1-2H3/p+1/t13-/m0/s1