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

Systemtic Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-(azepan-1-ium-1-yl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-(1-azepan-1-iumyl)-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-(azepan-1-ium-1-yl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(azepan-1-ium-1-yl)piperidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H33N2O4+ MolecularWeight: 377.49772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C21H32N2O4/c1-25-18-14-16(15-19(26-2)20(18)27-3)21(24)23-12-8-17(9-13-23)22-10-6-4-5-7-11-22/h14-15,17H,4-13H2,1-3H3/p+1