[2-ethoxy-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]methanol

Systemtic Name: [2-ethoxy-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]methanol Openeye Name: [2-ethoxy-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]methanol CAS Name: [2-ethoxy-5-[[(3S)-3-(4-phenyl-1-piperazinyl)-1-piperidin-1-iumyl]methyl]phenyl]methanol IUPAC Name: [2-ethoxy-5-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-ium-1-yl]methyl]phenyl]methanol Traditional Name: [2-ethoxy-5-[[(3S)-3-(4-phenylpiperazino)piperidin-1-ium-1-yl]methyl]phenyl]methanol Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)CO

Isomeric SMILES

CCOC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4)CO

InChI

InChI=1S/C25H35N3O2/c1-2-30-25-11-10-21(17-22(25)20-29)18-26-12-6-9-24(19-26)28-15-13-27(14-16-28)23-7-4-3-5-8-23/h3-5,7-8,10-11,17,24,29H,2,6,9,12-16,18-20H2,1H3/p+1/t24-/m0/s1