[(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium

Systemtic Name: [(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium Openeye Name: [(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-(4-isobutylphenyl)ethyl]ammonium CAS Name: [(1R)-2-(4-ethyl-1-piperazin-4-iumyl)-1-[4-(2-methylpropyl)phenyl]ethyl]ammonium IUPAC Name: [(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-[4-(2-methylpropyl)phenyl]ethyl]azanium Traditional Name: [(1R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-(4-isobutylphenyl)ethyl]ammonium Formula: C18H33N3+2 MolecularWeight: 291.47472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC(C2=CC=C(C=C2)CC(C)C)[NH3+]

Isomeric SMILES

CC[NH+]1CCN(CC1)C[C@@H](C2=CC=C(C=C2)CC(C)C)[NH3+]

InChI

InChI=1S/C18H31N3/c1-4-20-9-11-21(12-10-20)14-18(19)17-7-5-16(6-8-17)13-15(2)3/h5-8,15,18H,4,9-14,19H2,1-3H3/p+2/t18-/m0/s1