[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]ammonium IUPAC Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-phenylpiperazino)ethyl]-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C(C)C)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C25H35N3O/c1-19(2)21-10-12-22(13-11-21)25(20(3)4)26-18-24(29)28-16-14-27(15-17-28)23-8-6-5-7-9-23/h5-13,19-20,25-26H,14-18H2,1-4H3/p+1/t25-/m0/s1