1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl-(3,4-diethoxyphenyl)methanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCC[NH2+]CC2)OCC

InChI

InChI=1S/C16H24N2O3/c1-3-20-14-7-6-13(12-15(14)21-4-2)16(19)18-10-5-8-17-9-11-18/h6-7,12,17H,3-5,8-11H2,1-2H3/p+1