[4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone

Systemtic Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ium-1-yl)-1-piperidyl]-(3,5-dimethoxyphenyl)methanone CAS Name: [4-(1-azepan-1-iumyl)-1-piperidinyl]-(3,5-dimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ium-1-yl)piperidino]-(3,5-dimethoxyphenyl)methanone Formula: C20H31N2O3+ MolecularWeight: 347.47174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)[NH+]3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)[NH+]3CCCCCC3)OC

InChI

InChI=1S/C20H30N2O3/c1-24-18-13-16(14-19(15-18)25-2)20(23)22-11-7-17(8-12-22)21-9-5-3-4-6-10-21/h13-15,17H,3-12H2,1-2H3/p+1