[(1S)-1-(2-methylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(2-methylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(o-tolyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-methylphenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-methylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(o-tolyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)[NH2+]CCC[NH+]2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-15-9-4-5-10-17(15)16(2)18-11-8-14-19-12-6-3-7-13-19/h4-5,9-10,16,18H,3,6-8,11-14H2,1-2H3/p+2/t16-/m0/s1