3-methylbutyl-[(2-prop-2-ynoxyphenyl)methyl]azanium

Systemtic Name: 3-methylbutyl-[(2-prop-2-ynoxyphenyl)methyl]azanium Openeye Name: isopentyl-[(2-prop-2-ynoxyphenyl)methyl]ammonium CAS Name: 3-methylbutyl-[(2-prop-2-ynoxyphenyl)methyl]ammonium IUPAC Name: 3-methylbutyl-[(2-prop-2-ynoxyphenyl)methyl]azanium Traditional Name: isoamyl-(2-propargyloxybenzyl)ammonium Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]CC1=CC=CC=C1OCC#C

Isomeric SMILES

CC(C)CC[NH2+]CC1=CC=CC=C1OCC#C

InChI

InChI=1S/C15H21NO/c1-4-11-17-15-8-6-5-7-14(15)12-16-10-9-13(2)3/h1,5-8,13,16H,9-12H2,2-3H3/p+1