[2-[[4-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-propan-2-yl-azanium

Systemtic Name: [2-[[4-(azaniumylmethyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-propan-2-yl-azanium Openeye Name: [2-[4-(azaniumylmethyl)anilino]-2-oxo-ethyl]-isopropyl-methyl-ammonium CAS Name: [2-[4-(ammoniomethyl)anilino]-2-oxoethyl]-methyl-propan-2-ylammonium IUPAC Name: [2-[4-(azaniumylmethyl)anilino]-2-oxoethyl]-methyl-propan-2-ylazanium Traditional Name: [2-[4-(ammoniomethyl)anilino]-2-keto-ethyl]-isopropyl-methyl-ammonium Formula: C13H23N3O+2 MolecularWeight: 237.34122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21N3O/c1-10(2)16(3)9-13(17)15-12-6-4-11(8-14)5-7-12/h4-7,10H,8-9,14H2,1-3H3,(H,15,17)/p+2