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

Systemtic Name: 5-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 5-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 5-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 5-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 5-methoxy-2-[[(3S)-3-[4-(2-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)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4OC)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C24H33N3O3/c1-29-21-10-9-19(23(28)16-21)17-25-11-5-6-20(18-25)26-12-14-27(15-13-26)22-7-3-4-8-24(22)30-2/h3-4,7-10,16,20,28H,5-6,11-15,17-18H2,1-2H3/p+1/t20-/m0/s1