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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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