3-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[[4-(cyclopentoxy)phenyl]methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(4-cyclopentyloxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[4-(cyclopentoxy)benzyl]piperidin-1-ium-3-yl]-1-(4-methylpiperazino)propan-1-one Formula: C25H40N3O2+ MolecularWeight: 414.604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCC2CCC[NH+](C2)CC3=CC=C(C=C3)OC4CCCC4

Isomeric SMILES

CN1CCN(CC1)C(=O)CC[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C25H39N3O2/c1-26-15-17-28(18-16-26)25(29)13-10-21-5-4-14-27(19-21)20-22-8-11-24(12-9-22)30-23-6-2-3-7-23/h8-9,11-12,21,23H,2-7,10,13-20H2,1H3/p+1/t21-/m1/s1