[1-[(4R)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(4R)-4-(4-methoxy-3-methyl-phenyl)-4-oxidanyl-butyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(4R)-4-hydroxy-4-(4-methoxy-3-methyl-phenyl)butyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(4R)-4-hydroxy-4-(4-methoxy-3-methylphenyl)butyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(4R)-4-hydroxy-4-(4-methoxy-3-methylphenyl)butyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(4R)-4-hydroxy-4-(4-methoxy-3-methyl-phenyl)butyl]piperidin-1-ium-4-yl]ammonium Formula: C17H30N2O2+2 MolecularWeight: 294.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O2/c1-13-12-14(5-6-17(13)21-2)16(20)4-3-9-19-10-7-15(18)8-11-19/h5-6,12,15-16,20H,3-4,7-11,18H2,1-2H3/p+2/t16-/m1/s1