3-pyrrolidin-1-ium-1-ylpropyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]azanium

Systemtic Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]azanium Openeye Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]ammonium CAS Name: 3-(1-pyrrolidin-1-iumyl)propyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]ammonium IUPAC Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]azanium Traditional Name: 3-pyrrolidin-1-ium-1-ylpropyl-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]ammonium Formula: C18H32N2+2 MolecularWeight: 276.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)C(C)[NH2+]CCC[NH+]2CCCC2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)[C@H](C)[NH2+]CCC[NH+]2CCCC2)C

InChI

InChI=1S/C18H30N2/c1-14-12-16(3)18(13-15(14)2)17(4)19-8-7-11-20-9-5-6-10-20/h12-13,17,19H,5-11H2,1-4H3/p+2/t17-/m0/s1