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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CCC[NH+]2CCCCC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H](C)[NH2+]CCC[NH+]2CCCCC2)C

InChI

InChI=1S/C18H30N2/c1-15-8-9-18(14-16(15)2)17(3)19-10-7-13-20-11-5-4-6-12-20/h8-9,14,17,19H,4-7,10-13H2,1-3H3/p+2/t17-/m0/s1