3-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(2R)-4-(4-hydroxyphenyl)butan-2-yl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(1R)-3-(4-hydroxyphenyl)-1-methyl-propyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)O)[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

C[C@H](CCC1=CC=C(C=C1)O)[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c1-23(7-8-24-9-12-27(32)13-10-24)29-17-15-25(16-18-29)11-14-28(33)31-21-19-30(20-22-31)26-5-3-2-4-6-26/h2-6,9-10,12-13,23,25,32H,7-8,11,14-22H2,1H3/p+1/t23-/m1/s1