2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]ethanone

Systemtic Name: 2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]ethanone Openeye Name: 2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]methyl]-1-piperidyl]ethanone CAS Name: 2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenyl-1-piperazin-1-iumyl)methyl]phenoxy]methyl]-1-piperidinyl]ethanone IUPAC Name: 2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]ethanone Traditional Name: 2-cyclopentyl-1-[(3S)-3-[[4-[(4-phenylpiperazin-1-ium-1-yl)methyl]phenoxy]methyl]piperidino]ethanone Formula: C30H42N3O2+ MolecularWeight: 476.67338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CCCC(C2)COC3=CC=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)CC(=O)N2CCC[C@@H](C2)COC3=CC=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H41N3O2/c34-30(21-25-7-4-5-8-25)33-16-6-9-27(23-33)24-35-29-14-12-26(13-15-29)22-31-17-19-32(20-18-31)28-10-2-1-3-11-28/h1-3,10-15,25,27H,4-9,16-24H2/p+1/t27-/m0/s1