(3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: (3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: (3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: (3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: (3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: (3-butoxyphenyl)-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C17H26N2O2/c1-3-4-13-21-16-8-5-7-15(14-16)17(20)19-10-6-9-18(2)11-12-19/h5,7-8,14H,3-4,6,9-13H2,1-2H3/p+1