1-[4-[4-[(1S,3R)-3-methylcyclopentyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(1S,3R)-3-methylcyclopentyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(1S,3R)-3-methylcyclopentyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(1S,3R)-3-methylcyclopentyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(1S,3R)-3-methylcyclopentyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(1S,3R)-3-methylcyclopentyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@@H]1CC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C18H26N2O/c1-14-3-6-18(13-14)20-11-9-19(10-12-20)17-7-4-16(5-8-17)15(2)21/h4-5,7-8,14,18H,3,6,9-13H2,1-2H3/p+1/t14-,18+/m1/s1