[(2S)-2-(4-tert-butylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]azanium

Systemtic Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]azanium Openeye Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]ammonium CAS Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]ammonium IUPAC Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethyl]azanium Traditional Name: [(2S)-2-(4-tert-butylphenyl)-2-[methyl-[2-(4-pyridyl)ethyl]amino]ethyl]ammonium Formula: C20H30N3+ MolecularWeight: 312.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C[NH3+])N(C)CCC2=CC=NC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C[NH3+])N(C)CCC2=CC=NC=C2

InChI

InChI=1S/C20H29N3/c1-20(2,3)18-7-5-17(6-8-18)19(15-21)23(4)14-11-16-9-12-22-13-10-16/h5-10,12-13,19H,11,14-15,21H2,1-4H3/p+1/t19-/m1/s1