dimethyl-[(2R)-3-methyl-1-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]butan-2-yl]azanium

Systemtic Name: dimethyl-[(2R)-3-methyl-1-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]butan-2-yl]azanium Openeye Name: [(1R)-1-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-3-methyl-1-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]butan-2-yl]ammonium IUPAC Name: [(2R)-1-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-methylbutan-2-yl]-dimethylazanium Traditional Name: [(1R)-1-[[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]methyl]-2-methyl-propyl]-dimethyl-ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1CC[NH+](C1)CC2=CC=CC=C2)[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H31N3/c1-15(2)18(20(3)4)12-19-17-10-11-21(14-17)13-16-8-6-5-7-9-16/h5-9,15,17-19H,10-14H2,1-4H3/p+2/t17-,18-/m0/s1