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

Systemtic Name: 4-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 4-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 4-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 4-methoxy-2-[[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 4-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(=C(C=C1)O)CN2CCCC(C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

COC1=CC(=C(C=C1)O)CN2CCC[C@@H](C2)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C24H33N3O3/c1-29-21-9-10-23(28)19(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