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

Systemtic Name: 4-methoxy-2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 4-methoxy-2-[[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 4-methoxy-2-[[(3S)-3-[4-(4-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=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)CC4=C(C=CC(=C4)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=C(C=CC(=C4)OC)O

InChI

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