[1-[(3R)-3-(2-methoxy-5-methyl-phenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3R)-3-(2-methoxy-5-methyl-phenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3R)-3-hydroxy-3-(2-methoxy-5-methyl-phenyl)propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3R)-3-hydroxy-3-(2-methoxy-5-methylphenyl)propyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3R)-3-hydroxy-3-(2-methoxy-5-methylphenyl)propyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3R)-3-hydroxy-3-(2-methoxy-5-methyl-phenyl)propyl]piperidin-1-ium-4-yl]ammonium Formula: C16H28N2O2+2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12-3-4-16(20-2)14(11-12)15(19)7-10-18-8-5-13(17)6-9-18/h3-4,11,13,15,19H,5-10,17H2,1-2H3/p+2/t15-/m1/s1