[(2R)-2-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(4-isopropylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(4-propan-2-ylphenyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-propan-2-ylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [(2R)-2-p-cumenyl-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C20H30N4+2 MolecularWeight: 326.479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)[C@H](C[NH3+])N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H28N4/c1-16(2)17-6-8-18(9-7-17)19(15-21)23-11-13-24(14-12-23)20-5-3-4-10-22-20/h3-10,16,19H,11-15,21H2,1-2H3/p+2/t19-/m0/s1