[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: [(2S)-2-(dimethylamino)-2-phenyl-ethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(2S)-2-(dimethylamino)-2-phenyl-ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium CAS Name: [(2S)-2-(dimethylamino)-2-phenylethyl]-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: [(2S)-2-(dimethylamino)-2-phenylethyl]-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(2S)-2-(dimethylamino)-2-phenyl-ethyl]-[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonium Formula: C18H33N2+ MolecularWeight: 277.46802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2/c1-6-15(3)13-17(7-2)19-14-18(20(4)5)16-11-9-8-10-12-16/h8-12,15,17-19H,6-7,13-14H2,1-5H3/p+1/t15-,17-,18+/m0/s1