[1-[(4R)-4-(3,4-dimethylphenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(4R)-4-(3,4-dimethylphenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(4R)-4-(3,4-dimethylphenyl)-4-hydroxy-butyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(4R)-4-(3,4-dimethylphenyl)-4-hydroxybutyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(4R)-4-(3,4-dimethylphenyl)-4-hydroxybutyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(4R)-4-(3,4-dimethylphenyl)-4-hydroxy-butyl]piperidin-1-ium-4-yl]ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCC[NH+]2CCC(CC2)[NH3+])O)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](CCC[NH+]2CCC(CC2)[NH3+])O)C

InChI

InChI=1S/C17H28N2O/c1-13-5-6-15(12-14(13)2)17(20)4-3-9-19-10-7-16(18)8-11-19/h5-6,12,16-17,20H,3-4,7-11,18H2,1-2H3/p+2/t17-/m1/s1