[(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium

Systemtic Name: [(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[3-(1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-(3-piperidin-1-ium-1-ylpropyl)ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O/c1-14-7-8-16(17(20)13-14)15(2)18-9-6-12-19-10-4-3-5-11-19/h7-8,13,15,18,20H,3-6,9-12H2,1-2H3/p+2/t15-/m0/s1