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

Systemtic Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(3-phenylpropyl)azanium Openeye Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(3-phenylpropyl)ammonium CAS Name: [4-[(2S)-3-(4-ethyl-1-piperazin-4-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(3-phenylpropyl)azanium Traditional Name: [4-[(2S)-3-(4-ethylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(3-phenylpropyl)ammonium Formula: C26H41N3O3+2 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(COC2=C(C=C(C=C2)C[NH2+]CCCC3=CC=CC=C3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH2+]CCCC3=CC=CC=C3)OC)O

InChI

InChI=1S/C26H39N3O3/c1-3-28-14-16-29(17-15-28)20-24(30)21-32-25-12-11-23(18-26(25)31-2)19-27-13-7-10-22-8-5-4-6-9-22/h4-6,8-9,11-12,18,24,27,30H,3,7,10,13-17,19-21H2,1-2H3/p+2/t24-/m0/s1