[(4S)-4-cyano-5-methyl-4-phenyl-hexyl]-methyl-phenethyl-azanium

Systemtic Name: [(4S)-4-cyano-5-methyl-4-phenyl-hexyl]-methyl-phenethyl-azanium Openeye Name: [(4S)-4-cyano-5-methyl-4-phenyl-hexyl]-methyl-phenethyl-ammonium CAS Name: [(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-phenethylammonium IUPAC Name: [(4S)-4-cyano-5-methyl-4-phenylhexyl]-methyl-phenethylazanium Traditional Name: [(4S)-4-cyano-5-methyl-4-phenyl-hexyl]-methyl-phenethyl-ammonium Formula: C23H31N2+ MolecularWeight: 335.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC[NH+](C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@](CCC[NH+](C)CCC1=CC=CC=C1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3/p+1/t23-/m0/s1