[(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(3-nitrophenyl)methyl]azanium

Systemtic Name: [(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(3-nitrophenyl)methyl]azanium Openeye Name: [(2R)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(3-nitrophenyl)methyl]ammonium CAS Name: [(2R)-3-methyl-2-(1-pyrrolidinyl)butyl]-[(3-nitrophenyl)methyl]ammonium IUPAC Name: [(2R)-3-methyl-2-pyrrolidin-1-ylbutyl]-[(3-nitrophenyl)methyl]azanium Traditional Name: [(2R)-3-methyl-2-pyrrolidino-butyl]-(3-nitrobenzyl)ammonium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CC(C)[C@H](C[NH2+]CC1=CC(=CC=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C16H25N3O2/c1-13(2)16(18-8-3-4-9-18)12-17-11-14-6-5-7-15(10-14)19(20)21/h5-7,10,13,16-17H,3-4,8-9,11-12H2,1-2H3/p+1/t16-/m0/s1