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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-[3-(methylthio)propyl]ammonium Formula: C21H39N3O3S+2 MolecularWeight: 413.61766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H37N3O3S/c1-4-23-9-11-24(12-10-23)16-19(25)17-27-20-7-6-18(14-21(20)26-2)15-22-8-5-13-28-3/h6-7,14,19,22,25H,4-5,8-13,15-17H2,1-3H3/p+2/t19-/m0/s1