4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: 4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]azanium Openeye Name: 4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]ammonium CAS Name: 4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: 4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]azanium Traditional Name: 4-(2,4-dimethylphenoxy)butyl-[(1S)-1-phenylethyl]ammonium Formula: C20H28NO+ MolecularWeight: 298.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC[NH2+]C(C)C2=CC=CC=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC[NH2+][C@@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C20H27NO/c1-16-11-12-20(17(2)15-16)22-14-8-7-13-21-18(3)19-9-5-4-6-10-19/h4-6,9-12,15,18,21H,7-8,13-14H2,1-3H3/p+1/t18-/m0/s1