[4-[[3-methoxy-4-(pentanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium

Systemtic Name: [4-[[3-methoxy-4-(pentanoylamino)phenyl]amino]-4-oxidanylidene-butyl]azanium Openeye Name: [4-[3-methoxy-4-(pentanoylamino)anilino]-4-oxo-butyl]ammonium CAS Name: [4-[3-methoxy-4-(1-oxopentylamino)anilino]-4-oxobutyl]ammonium IUPAC Name: [4-[3-methoxy-4-(pentanoylamino)anilino]-4-oxobutyl]azanium Traditional Name: [4-keto-4-[3-methoxy-4-(valerylamino)anilino]butyl]ammonium Formula: C16H26N3O3+ MolecularWeight: 308.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)CCC[NH3+])OC

Isomeric SMILES

CCCCC(=O)NC1=C(C=C(C=C1)NC(=O)CCC[NH3+])OC

InChI

InChI=1S/C16H25N3O3/c1-3-4-6-16(21)19-13-9-8-12(11-14(13)22-2)18-15(20)7-5-10-17/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20)(H,19,21)/p+1