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

Systemtic Name: [1-[(3R)-3-(3,4-dimethylphenyl)-3-oxidanyl-propyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(3R)-3-(3,4-dimethylphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(3R)-3-(3,4-dimethylphenyl)-3-hydroxypropyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(3R)-3-(3,4-dimethylphenyl)-3-hydroxypropyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(3R)-3-(3,4-dimethylphenyl)-3-hydroxy-propyl]piperidin-1-ium-4-yl]ammonium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O/c1-12-3-4-14(11-13(12)2)16(19)7-10-18-8-5-15(17)6-9-18/h3-4,11,15-16,19H,5-10,17H2,1-2H3/p+2/t16-/m1/s1