2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-tetrahydropyran-4-yl-piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(4-oxanyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-m-anisyl-4-tetrahydropyran-4-yl-piperazin-4-ium-2-yl]ethanol Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CC[NH+](CC2CCO)C3CCOCC3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CC[NH+](C[C@@H]2CCO)C3CCOCC3

InChI

InChI=1S/C19H30N2O3/c1-23-19-4-2-3-16(13-19)14-20-8-9-21(15-18(20)5-10-22)17-6-11-24-12-7-17/h2-4,13,17-18,22H,5-12,14-15H2,1H3/p+1/t18-/m0/s1