(2R)-3-methyl-N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-butan-1-amine

Systemtic Name: (2R)-3-methyl-N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-butan-1-amine Openeye Name: (2R)-3-methyl-N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-yl-butan-1-amine CAS Name: (2R)-3-methyl-N-[(4-nitrophenyl)methyl]-2-(1-pyrrolidin-1-iumyl)-1-butanamine IUPAC Name: (2R)-3-methyl-N-[(4-nitrophenyl)methyl]-2-pyrrolidin-1-ium-1-ylbutan-1-amine Traditional Name: [(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]-(4-nitrobenzyl)amine Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@H](CNCC1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCCC2

InChI

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