3-methylbutyl-[(4-pentoxyphenyl)methyl]azanium

Systemtic Name: 3-methylbutyl-[(4-pentoxyphenyl)methyl]azanium Openeye Name: isopentyl-[(4-pentoxyphenyl)methyl]ammonium CAS Name: 3-methylbutyl-[(4-pentoxyphenyl)methyl]ammonium IUPAC Name: 3-methylbutyl-[(4-pentoxyphenyl)methyl]azanium Traditional Name: (4-amoxybenzyl)-isoamyl-ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C[NH2+]CCC(C)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[NH2+]CCC(C)C

InChI

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