(3S)-N-[(2S)-3-methylbutan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2S)-3-methylbutan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(1S)-1,2-dimethylpropyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[(2S)-3-methylbutan-2-yl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(2S)-3-methylbutan-2-yl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(1S)-1,2-dimethylpropyl]amine Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC1CC[NH+](C1)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(C)C)N[C@H]1CC[NH+](C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H26N2/c1-13(2)14(3)17-16-9-10-18(12-16)11-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/p+1/t14-,16-/m0/s1