hexyl-[[4-(3-methylbutoxy)phenyl]methyl]azanium

Systemtic Name: hexyl-[[4-(3-methylbutoxy)phenyl]methyl]azanium Openeye Name: hexyl-[(4-isopentyloxyphenyl)methyl]ammonium CAS Name: hexyl-[[4-(3-methylbutoxy)phenyl]methyl]ammonium IUPAC Name: hexyl-[[4-(3-methylbutoxy)phenyl]methyl]azanium Traditional Name: hexyl-(4-isoamoxybenzyl)ammonium Formula: C18H32NO+ MolecularWeight: 278.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]CC1=CC=C(C=C1)OCCC(C)C

Isomeric SMILES

CCCCCC[NH2+]CC1=CC=C(C=C1)OCCC(C)C

InChI

InChI=1S/C18H31NO/c1-4-5-6-7-13-19-15-17-8-10-18(11-9-17)20-14-12-16(2)3/h8-11,16,19H,4-7,12-15H2,1-3H3/p+1