[3-[[4-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium

Systemtic Name: [3-[[4-(azaniumylmethyl)phenyl]amino]-3-oxidanylidene-propyl]-methyl-propan-2-yl-azanium Openeye Name: [3-[4-(azaniumylmethyl)anilino]-3-oxo-propyl]-isopropyl-methyl-ammonium CAS Name: [3-[4-(ammoniomethyl)anilino]-3-oxopropyl]-methyl-propan-2-ylammonium IUPAC Name: [3-[4-(azaniumylmethyl)anilino]-3-oxopropyl]-methyl-propan-2-ylazanium Traditional Name: [3-[4-(ammoniomethyl)anilino]-3-keto-propyl]-isopropyl-methyl-ammonium Formula: C14H25N3O+2 MolecularWeight: 251.3678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O/c1-11(2)17(3)9-8-14(18)16-13-6-4-12(10-15)5-7-13/h4-7,11H,8-10,15H2,1-3H3,(H,16,18)/p+2