[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C25H38N4O+2 MolecularWeight: 410.59542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O/c1-19(2)24(20-9-11-21(12-10-20)25(3,4)5)27-18-23(30)29-16-14-28(15-17-29)22-8-6-7-13-26-22/h6-13,19,24,27H,14-18H2,1-5H3/p+2/t24-/m1/s1