dimethyl-[(2R)-2-[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2R)-2-[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]-2-phenyl-ethyl]azanium Openeye Name: [(2R)-2-[[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2R)-2-[[(3S,5S)-5-methylheptan-3-yl]ammonio]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2R)-2-[[(3S,5S)-5-methylheptan-3-yl]azaniumyl]-2-phenylethyl]azanium Traditional Name: [(2R)-2-[[(1S,3S)-1-ethyl-3-methyl-pentyl]ammonio]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C18H34N2+2 MolecularWeight: 278.47596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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