(3S)-N-[(2S)-6-methylheptan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[(2S)-6-methylheptan-2-yl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[(1S)-1,5-dimethylhexyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[(2S)-6-methylheptan-2-yl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[(2S)-6-methylheptan-2-yl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[(1S)-1,5-dimethylhexyl]amine Formula: C19H33N2+ MolecularWeight: 289.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2/c1-16(2)8-7-9-17(3)20-19-12-13-21(15-19)14-18-10-5-4-6-11-18/h4-6,10-11,16-17,19-20H,7-9,12-15H2,1-3H3/p+1/t17-,19-/m0/s1