[(1S)-1-(3,4-dimethylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(3,4-dimethylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CCC[NH+]2CCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CCC[NH+]2CCCC2)C

InChI

InChI=1S/C17H28N2/c1-14-7-8-17(13-15(14)2)16(3)18-9-6-12-19-10-4-5-11-19/h7-8,13,16,18H,4-6,9-12H2,1-3H3/p+2/t16-/m0/s1