N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-oxidanylidene-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]ethyl]-2-phenylacetamide IUPAC Name: N-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]ethyl]-2-phenylacetamide Traditional Name: N-[2-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]-2-phenyl-acetamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-19(2)22-10-8-21(9-11-22)18-26-12-14-27(15-13-26)24(29)17-25-23(28)16-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,25,28)/p+1