[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-(2-pyridylmethyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(2-pyridinylmethyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(pyridin-2-ylmethyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-(2-pyridylmethyl)ammonium Formula: C24H38N4O3+2 MolecularWeight: 430.58352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH+](C)CC3=CC=CC=N3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH+](C)CC3=CC=CC=N3)OC)O

InChI

InChI=1S/C24H36N4O3/c1-4-27-11-13-28(14-12-27)18-22(29)19-31-23-9-8-20(15-24(23)30-3)16-26(2)17-21-7-5-6-10-25-21/h5-10,15,22,29H,4,11-14,16-19H2,1-3H3/p+2/t22-/m0/s1