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

Systemtic Name: [(1S)-1-(4-methyl-2-oxidanyl-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Openeye Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium CAS Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-[3-(1-pyrrolidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(2-hydroxy-4-methylphenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)azanium Traditional Name: [(1S)-1-(2-hydroxy-4-methyl-phenyl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-13-6-7-15(16(19)12-13)14(2)17-8-5-11-18-9-3-4-10-18/h6-7,12,14,17,19H,3-5,8-11H2,1-2H3/p+2/t14-/m0/s1