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

Systemtic Name: [1-[(3S)-3-(4-methoxy-3-methyl-phenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3S)-3-hydroxy-3-(4-methoxy-3-methyl-phenyl)propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3S)-3-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3S)-3-hydroxy-3-(4-methoxy-3-methylphenyl)propyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3S)-3-hydroxy-3-(4-methoxy-3-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=C(C=CC(=C1)C(CC[NH+]2CCC(CC2)[NH3+])O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2/c1-12-11-13(3-4-16(12)20-2)15(19)7-10-18-8-5-14(17)6-9-18/h3-4,11,14-15,19H,5-10,17H2,1-2H3/p+2/t15-/m0/s1