(3-azanyl-3-oxidanylidene-propyl)-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium

Systemtic Name: (3-azanyl-3-oxidanylidene-propyl)-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)azanium Openeye Name: (3-amino-3-oxo-propyl)-benzyl-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: (3-amino-3-oxopropyl)-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-(phenylmethyl)ammonium IUPAC Name: (3-amino-3-oxopropyl)-benzyl-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]azanium Traditional Name: (3-amino-3-keto-propyl)-benzyl-[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]ammonium Formula: C20H26N3O3+ MolecularWeight: 356.43874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CCC(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C20H25N3O3/c1-15-8-9-18(26-2)17(12-15)22-20(25)14-23(11-10-19(21)24)13-16-6-4-3-5-7-16/h3-9,12H,10-11,13-14H2,1-2H3,(H2,21,24)(H,22,25)/p+1