(2S)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(1-azocan-1-iumylmethyl)-2-methoxyphenoxy]-3-(4-ethyl-1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxyphenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-[4-(azocan-1-ium-1-ylmethyl)-2-methoxy-phenoxy]-3-(4-ethylpiperazin-4-ium-1-yl)propan-2-ol 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[NH+]3CCCCCCC3)OC)O

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](COC2=C(C=C(C=C2)C[NH+]3CCCCCCC3)OC)O

InChI

InChI=1S/C24H41N3O3/c1-3-25-13-15-27(16-14-25)19-22(28)20-30-23-10-9-21(17-24(23)29-2)18-26-11-7-5-4-6-8-12-26/h9-10,17,22,28H,3-8,11-16,18-20H2,1-2H3/p+2/t22-/m0/s1