[1-[(3R)-3-(3,4-dimethoxyphenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(3R)-3-(3,4-dimethoxyphenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3R)-3-(3,4-dimethoxyphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3R)-3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3R)-3-(3,4-dimethoxyphenyl)-3-hydroxypropyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3R)-3-(3,4-dimethoxyphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium Formula: C16H28N2O3+2 MolecularWeight: 296.40512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC[NH+]2CCC(CC2)[NH3+])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](CC[NH+]2CCC(CC2)[NH3+])O)OC

InChI

InChI=1S/C16H26N2O3/c1-20-15-4-3-12(11-16(15)21-2)14(19)7-10-18-8-5-13(17)6-9-18/h3-4,11,13-14,19H,5-10,17H2,1-2H3/p+2/t14-/m1/s1