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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-23-18-8-6-16(7-9-18)19(22)21-14-10-17(11-15-21)20-12-4-2-3-5-13-20/h6-9,17H,2-5,10-15H2,1H3/p+1