2-(4-methoxyphenyl)ethyl-[(3S,5S)-5-methylheptan-3-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(CC)[NH2+]CCC1=CC=C(C=C1)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO/c1-5-14(3)13-16(6-2)18-12-11-15-7-9-17(19-4)10-8-15/h7-10,14,16,18H,5-6,11-13H2,1-4H3/p+1/t14-,16-/m0/s1