[4-[4-(2-methylphenoxy)butanoylamino]phenyl]methylazanium

Systemtic Name: [4-[4-(2-methylphenoxy)butanoylamino]phenyl]methylazanium Openeye Name: [4-[4-(2-methylphenoxy)butanoylamino]phenyl]methylammonium CAS Name: [4-[[4-(2-methylphenoxy)-1-oxobutyl]amino]phenyl]methylammonium IUPAC Name: [4-[4-(2-methylphenoxy)butanoylamino]phenyl]methylazanium Traditional Name: [4-[4-(2-methylphenoxy)butanoylamino]benzyl]ammonium Formula: C18H23N2O2+ MolecularWeight: 299.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)C[NH3+]

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NC2=CC=C(C=C2)C[NH3+]

InChI

InChI=1S/C18H22N2O2/c1-14-5-2-3-6-17(14)22-12-4-7-18(21)20-16-10-8-15(13-19)9-11-16/h2-3,5-6,8-11H,4,7,12-13,19H2,1H3,(H,20,21)/p+1