[(2S)-butan-2-yl]-[4-(4-propoxyphenoxy)butyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[4-(4-propoxyphenoxy)butyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[4-(4-propoxyphenoxy)butyl]ammonium CAS Name: [(2S)-butan-2-yl]-[4-(4-propoxyphenoxy)butyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[4-(4-propoxyphenoxy)butyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[4-(4-propoxyphenoxy)butyl]ammonium Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)OCCCC[NH2+]C(C)CC

Isomeric SMILES

CCCOC1=CC=C(C=C1)OCCCC[NH2+][C@@H](C)CC

InChI

InChI=1S/C17H29NO2/c1-4-13-19-16-8-10-17(11-9-16)20-14-7-6-12-18-15(3)5-2/h8-11,15,18H,4-7,12-14H2,1-3H3/p+1/t15-/m0/s1