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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-hydroxyethyl)-methyl-azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-hydroxyethyl)-methyl-ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)-methylammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-hydroxyethyl)-methylazanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-hydroxyethyl)-methyl-ammonium Formula: C20H37N3O4+2 MolecularWeight: 383.52548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H35N3O4/c1-4-22-7-9-23(10-8-22)15-18(25)16-27-19-6-5-17(13-20(19)26-3)14-21(2)11-12-24/h5-6,13,18,24-25H,4,7-12,14-16H2,1-3H3/p+2/t18-/m0/s1