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

Systemtic Name: cycloheptyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: cycloheptyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cycloheptyl-[[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cycloheptyl-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C24H43N3O3+2 MolecularWeight: 421.61652

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]C3CCCCCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]C3CCCCCC3)OC)O

InChI

InChI=1S/C24H41N3O3/c1-3-26-12-14-27(15-13-26)18-22(28)19-30-23-11-10-20(16-24(23)29-2)17-25-21-8-6-4-5-7-9-21/h10-11,16,21-22,25,28H,3-9,12-15,17-19H2,1-2H3/p+2/t22-/m0/s1