2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-methoxy-5-[[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]methyl]phenol Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3CCC[NH+](C3)CC4=CC(=C(C=C4)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)[C@H]3CCC[NH+](C3)CC4=CC(=C(C=C4)OC)O

InChI

InChI=1S/C24H33N3O3/c1-29-22-8-6-20(7-9-22)26-12-14-27(15-13-26)21-4-3-11-25(18-21)17-19-5-10-24(30-2)23(28)16-19/h5-10,16,21,28H,3-4,11-15,17-18H2,1-2H3/p+1/t21-/m0/s1