[(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Openeye Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone CAS Name: [(3S)-1-[(4-hydroxyphenyl)methyl]-3-piperidin-1-iumyl]-(3-methoxyphenyl)methanone IUPAC Name: [(3S)-1-[(4-hydroxyphenyl)methyl]piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Traditional Name: [(3S)-1-(4-hydroxybenzyl)piperidin-1-ium-3-yl]-(3-methoxyphenyl)methanone Formula: C20H24NO3+ MolecularWeight: 326.40946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CC=C(C=C3)O

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)O

InChI

InChI=1S/C20H23NO3/c1-24-19-6-2-4-16(12-19)20(23)17-5-3-11-21(14-17)13-15-7-9-18(22)10-8-15/h2,4,6-10,12,17,22H,3,5,11,13-14H2,1H3/p+1/t17-/m0/s1