3-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol

Systemtic Name: 3-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Openeye Name: 3-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol CAS Name: 3-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazinyl]-1-piperidin-1-iumyl]-2,2-dimethyl-1-propanol IUPAC Name: 3-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-ium-1-yl]-2,2-dimethylpropan-1-ol Traditional Name: 3-[(3S)-3-[4-(4-methoxyphenyl)piperazino]piperidin-1-ium-1-yl]-2,2-dimethyl-propan-1-ol Formula: C21H36N3O2+ MolecularWeight: 362.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCCC(C1)N2CCN(CC2)C3=CC=C(C=C3)OC)CO

Isomeric SMILES

CC(C)(C[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC=C(C=C3)OC)CO

InChI

InChI=1S/C21H35N3O2/c1-21(2,17-25)16-22-10-4-5-19(15-22)24-13-11-23(12-14-24)18-6-8-20(26-3)9-7-18/h6-9,19,25H,4-5,10-17H2,1-3H3/p+1/t19-/m0/s1