[(2S)-5-methylhexan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-5-methylhexan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: [(1S)-1,4-dimethylpentyl]-[(4-isopropylphenyl)methyl]ammonium CAS Name: [(2S)-5-methylhexan-2-yl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: [(2S)-5-methylhexan-2-yl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: [(1S)-1,4-dimethylpentyl]-(4-isopropylbenzyl)ammonium Formula: C17H30N+ MolecularWeight: 248.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)[NH2+]CC1=CC=C(C=C1)C(C)C

Isomeric SMILES

C[C@@H](CCC(C)C)[NH2+]CC1=CC=C(C=C1)C(C)C

InChI

InChI=1S/C17H29N/c1-13(2)6-7-15(5)18-12-16-8-10-17(11-9-16)14(3)4/h8-11,13-15,18H,6-7,12H2,1-5H3/p+1/t15-/m0/s1