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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-methyl-(oxan-4-yl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-methyl-tetrahydropyran-4-yl-ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(4-oxanyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-methyl-(oxan-4-yl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-methyl-tetrahydropyran-4-yl-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[NH+](C)C3CCOCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH+](C)C3CCOCC3)OC)O

InChI

InChI=1S/C23H39N3O4/c1-4-25-9-11-26(12-10-25)17-21(27)18-30-22-6-5-19(15-23(22)28-3)16-24(2)20-7-13-29-14-8-20/h5-6,15,20-21,27H,4,7-14,16-18H2,1-3H3/p+2/t21-/m0/s1