[4-(3-methylbutoxy)phenyl]methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: [4-(3-methylbutoxy)phenyl]methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (4-isopentyloxyphenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: [4-(3-methylbutoxy)phenyl]methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: [4-(3-methylbutoxy)phenyl]methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (4-isoamoxybenzyl)-[(1S)-1-methylbutyl]ammonium Formula: C17H30NO+ MolecularWeight: 264.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC=C(C=C1)OCCC(C)C

InChI

InChI=1S/C17H29NO/c1-5-6-15(4)18-13-16-7-9-17(10-8-16)19-12-11-14(2)3/h7-10,14-15,18H,5-6,11-13H2,1-4H3/p+1/t15-/m0/s1