[3-[4-(4-methylpentoxy)butanoylamino]phenyl]methylazanium

Systemtic Name: [3-[4-(4-methylpentoxy)butanoylamino]phenyl]methylazanium Openeye Name: [3-(4-isohexyloxybutanoylamino)phenyl]methylammonium CAS Name: [3-[[4-(4-methylpentoxy)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [3-[4-(4-methylpentoxy)butanoylamino]phenyl]methylazanium Traditional Name: [3-(4-isohexyloxybutanoylamino)benzyl]ammonium Formula: C17H29N2O2+ MolecularWeight: 293.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

Isomeric SMILES

CC(C)CCCOCCCC(=O)NC1=CC=CC(=C1)C[NH3+]

InChI

InChI=1S/C17H28N2O2/c1-14(2)6-4-10-21-11-5-9-17(20)19-16-8-3-7-15(12-16)13-18/h3,7-8,12,14H,4-6,9-11,13,18H2,1-2H3,(H,19,20)/p+1