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

Systemtic Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1S)-1-(4-isopropylphenyl)-2-methyl-propyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-[(1S)-2-methyl-1-p-cumenyl-propyl]ammonium Formula: C24H36N4O+2 MolecularWeight: 396.56884

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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=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C(C)C)[NH2+]CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C24H34N4O/c1-18(2)20-8-10-21(11-9-20)24(19(3)4)26-17-23(29)28-15-13-27(14-16-28)22-7-5-6-12-25-22/h5-12,18-19,24,26H,13-17H2,1-4H3/p+2/t24-/m0/s1