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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-propan-2-yloxyethyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-isopropoxyethyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-propan-2-yloxyethyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-isopropoxyethyl)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+]CCOC(C)C)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C22H39N3O4/c1-5-24-9-11-25(12-10-24)16-20(26)17-29-21-7-6-19(14-22(21)27-4)15-23-8-13-28-18(2)3/h6-7,14,18,20,23,26H,5,8-13,15-17H2,1-4H3/p+2/t20-/m0/s1