(4-methoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-[(4-methoxyphenyl)methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(3S,5S)-5-methylheptan-3-yl]azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-p-anisyl-ammonium Formula: C16H28NO+ MolecularWeight: 250.39962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CC1=CC=C(C=C1)OC

Isomeric SMILES

CC[C@H](C)C[C@H](CC)[NH2+]CC1=CC=C(C=C1)OC

InChI

InChI=1S/C16H27NO/c1-5-13(3)11-15(6-2)17-12-14-7-9-16(18-4)10-8-14/h7-10,13,15,17H,5-6,11-12H2,1-4H3/p+1/t13-,15-/m0/s1