(1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine

Systemtic Name: (1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine Openeye Name: (1S)-1-(4-isobutylphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethanamine CAS Name: (1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine IUPAC Name: (1S)-1-[4-(2-methylpropyl)phenyl]-2-(2-propan-2-yl-1H-imidazol-3-ium-3-yl)ethanamine Traditional Name: [(1S)-1-(4-isobutylphenyl)-2-(2-isopropyl-1H-imidazol-3-ium-3-yl)ethyl]amine Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C[N+]2=C(NC=C2)C(C)C)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)[C@@H](C[N+]2=C(NC=C2)C(C)C)N

InChI

InChI=1S/C18H27N3/c1-13(2)11-15-5-7-16(8-6-15)17(19)12-21-10-9-20-18(21)14(3)4/h5-10,13-14,17H,11-12,19H2,1-4H3/p+1/t17-/m1/s1