[(3S,5S)-5-methylheptan-3-yl]-(4-propan-2-yloxyphenyl)azanium

Systemtic Name: [(3S,5S)-5-methylheptan-3-yl]-(4-propan-2-yloxyphenyl)azanium Openeye Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(4-isopropoxyphenyl)ammonium CAS Name: [(3S,5S)-5-methylheptan-3-yl]-(4-propan-2-yloxyphenyl)ammonium IUPAC Name: [(3S,5S)-5-methylheptan-3-yl]-(4-propan-2-yloxyphenyl)azanium Traditional Name: [(1S,3S)-1-ethyl-3-methyl-pentyl]-(4-isopropoxyphenyl)ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO/c1-6-14(5)12-15(7-2)18-16-8-10-17(11-9-16)19-13(3)4/h8-11,13-15,18H,6-7,12H2,1-5H3/p+1/t14-,15-/m0/s1