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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(4-oxidanylcyclohexyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(4-hydroxycyclohexyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-hydroxycyclohexyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(4-hydroxycyclohexyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(4-hydroxycyclohexyl)ammonium Formula: C23H41N3O4+2 MolecularWeight: 423.58934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]C3CCC(CC3)O)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]C3CCC(CC3)O)OC)O

InChI

InChI=1S/C23H39N3O4/c1-3-25-10-12-26(13-11-25)16-21(28)17-30-22-9-4-18(14-23(22)29-2)15-24-19-5-7-20(27)8-6-19/h4,9,14,19-21,24,27-28H,3,5-8,10-13,15-17H2,1-2H3/p+2/t19?,20?,21-/m0/s1