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

Systemtic Name: cyclopentyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: cyclopentyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: cyclopentyl-[[4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: cyclopentyl-[[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: cyclopentyl-[4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]ammonium Formula: C22H39N3O3+2 MolecularWeight: 393.56336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]C3CCCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]C3CCCC3)OC)O

InChI

InChI=1S/C22H37N3O3/c1-3-24-10-12-25(13-11-24)16-20(26)17-28-21-9-8-18(14-22(21)27-2)15-23-19-6-4-5-7-19/h8-9,14,19-20,23,26H,3-7,10-13,15-17H2,1-2H3/p+2/t20-/m0/s1