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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=C(C=CC=C4OC)O

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C(C=CC=C4OC)O

InChI

InChI=1S/C24H33N3O3/c1-29-23-11-5-9-22(28)20(23)18-25-12-6-7-19(17-25)26-13-15-27(16-14-26)21-8-3-4-10-24(21)30-2/h3-5,8-11,19,28H,6-7,12-18H2,1-2H3/p+1/t19-/m0/s1