heptan-4-yl-[(1R)-1-(2-methoxyphenyl)ethyl]azanium

Systemtic Name: heptan-4-yl-[(1R)-1-(2-methoxyphenyl)ethyl]azanium Openeye Name: [(1R)-1-(2-methoxyphenyl)ethyl]-(1-propylbutyl)ammonium CAS Name: heptan-4-yl-[(1R)-1-(2-methoxyphenyl)ethyl]ammonium IUPAC Name: heptan-4-yl-[(1R)-1-(2-methoxyphenyl)ethyl]azanium Traditional Name: [(1R)-1-(2-methoxyphenyl)ethyl]-(1-propylbutyl)ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]C(C)C1=CC=CC=C1OC

Isomeric SMILES

CCCC(CCC)[NH2+][C@H](C)C1=CC=CC=C1OC

InChI

InChI=1S/C16H27NO/c1-5-9-14(10-6-2)17-13(3)15-11-7-8-12-16(15)18-4/h7-8,11-14,17H,5-6,9-10H2,1-4H3/p+1/t13-/m1/s1