[(2S)-3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S)-3-(4-ethoxyphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxypropyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(4-ethoxyphenoxy)-2-hydroxy-propyl]ammonium Formula: C23H34N2O3+2 MolecularWeight: 386.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)OC[C@H](C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O3/c1-2-27-22-8-10-23(11-9-22)28-18-21(26)16-24-20-12-14-25(15-13-20)17-19-6-4-3-5-7-19/h3-11,20-21,24,26H,2,12-18H2,1H3/p+2/t21-/m0/s1