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

Systemtic Name: [(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]ammonium CAS Name: [(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]ammonium Formula: C23H34N2O2+2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](C[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H32N2O2/c1-2-19-9-6-10-23(15-19)27-18-22(26)16-24-21-11-13-25(14-12-21)17-20-7-4-3-5-8-20/h3-10,15,21-22,24,26H,2,11-14,16-18H2,1H3/p+2/t22-/m0/s1