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

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(p-tolyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(4-methylphenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(p-tolyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-14-6-8-16(9-7-14)15(2)17-10-5-13-18-11-3-4-12-18/h6-9,15,17H,3-5,10-13H2,1-2H3/p+2/t15-/m0/s1