[(2S)-heptan-2-yl]-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [(2S)-heptan-2-yl]-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1S)-1-methylhexyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium CAS Name: [(2S)-heptan-2-yl]-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [(2S)-heptan-2-yl]-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1S)-1-methylhexyl]-[(1R)-1-methyl-3-phenyl-propyl]ammonium Formula: C17H30N+ MolecularWeight: 248.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)[NH2+]C(C)CCC1=CC=CC=C1

Isomeric SMILES

CCCCC[C@H](C)[NH2+][C@H](C)CCC1=CC=CC=C1

InChI

InChI=1S/C17H29N/c1-4-5-7-10-15(2)18-16(3)13-14-17-11-8-6-9-12-17/h6,8-9,11-12,15-16,18H,4-5,7,10,13-14H2,1-3H3/p+1/t15-,16+/m0/s1