[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium

Systemtic Name: [(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium CAS Name: [(1R)-1-[4-(1-imidazolyl)phenyl]ethyl]-[(2S)-5-methylhexan-2-yl]ammonium IUPAC Name: [(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-[(2S)-5-methylhexan-2-yl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]ammonium Formula: C18H28N3+ MolecularWeight: 286.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]C(C)C1=CC=C(C=C1)N2C=CN=C2

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+][C@H](C)C1=CC=C(C=C1)N2C=CN=C2

InChI

InChI=1S/C18H27N3/c1-14(2)5-6-15(3)20-16(4)17-7-9-18(10-8-17)21-12-11-19-13-21/h7-16,20H,5-6H2,1-4H3/p+1/t15-,16+/m0/s1