[4-(3-methylbutoxy)phenyl]methyl-[(1S,2R)-2-methylcyclohexyl]azanium

Systemtic Name: [4-(3-methylbutoxy)phenyl]methyl-[(1S,2R)-2-methylcyclohexyl]azanium Openeye Name: (4-isopentyloxyphenyl)methyl-[(1S,2R)-2-methylcyclohexyl]ammonium CAS Name: [4-(3-methylbutoxy)phenyl]methyl-[(1S,2R)-2-methylcyclohexyl]ammonium IUPAC Name: [4-(3-methylbutoxy)phenyl]methyl-[(1S,2R)-2-methylcyclohexyl]azanium Traditional Name: (4-isoamoxybenzyl)-[(1S,2R)-2-methylcyclohexyl]ammonium Formula: C19H32NO+ MolecularWeight: 290.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1[NH2+]CC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1[NH2+]CC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C19H31NO/c1-15(2)12-13-21-18-10-8-17(9-11-18)14-20-19-7-5-4-6-16(19)3/h8-11,15-16,19-20H,4-7,12-14H2,1-3H3/p+1/t16-,19+/m1/s1