[(1S,2R)-1-azanyl-1-phenyl-butan-2-yl]-butyl-ethyl-azanium

Systemtic Name: [(1S,2R)-1-azanyl-1-phenyl-butan-2-yl]-butyl-ethyl-azanium Openeye Name: [(1R)-1-[(S)-amino(phenyl)methyl]propyl]-butyl-ethyl-ammonium CAS Name: [(1S,2R)-1-amino-1-phenylbutan-2-yl]-butyl-ethylammonium IUPAC Name: [(1S,2R)-1-amino-1-phenylbutan-2-yl]-butyl-ethylazanium Traditional Name: [(1R)-1-[(S)-amino(phenyl)methyl]propyl]-butyl-ethyl-ammonium Formula: C16H29N2+ MolecularWeight: 249.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)C(CC)C(C1=CC=CC=C1)N

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2/c1-4-7-13-18(6-3)15(5-2)16(17)14-11-9-8-10-12-14/h8-12,15-16H,4-7,13,17H2,1-3H3/p+1/t15-,16+/m1/s1