[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone

Systemtic Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-(azepan-1-ium-1-yl)-1-piperidyl]-(2-methoxyphenyl)methanone CAS Name: [4-(1-azepan-1-iumyl)-1-piperidinyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone Traditional Name: [4-(azepan-1-ium-1-yl)piperidino]-(2-methoxyphenyl)methanone Formula: C19H29N2O2+ MolecularWeight: 317.44576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H28N2O2/c1-23-18-9-5-4-8-17(18)19(22)21-14-10-16(11-15-21)20-12-6-2-3-7-13-20/h4-5,8-9,16H,2-3,6-7,10-15H2,1H3/p+1