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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-methyl-propyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-methoxy-2-methyl-propyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-methoxy-2-methylpropyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-methoxy-2-methyl-propyl)ammonium Formula: C22H41N3O4+2 MolecularWeight: 411.57864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O4/c1-6-24-9-11-25(12-10-24)15-19(26)16-29-20-8-7-18(13-21(20)27-4)14-23-17-22(2,3)28-5/h7-8,13,19,23,26H,6,9-12,14-17H2,1-5H3/p+2/t19-/m0/s1