1-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-17(2)20-6-4-19(5-7-20)16-23-12-14-24(15-13-23)22-10-8-21(9-11-22)18(3)25/h4-11,17H,12-16H2,1-3H3/p+1