1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Openeye Name: 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium CAS Name: 1-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]azepan-1-ium IUPAC Name: 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]azepan-1-ium Traditional Name: 1-(1-m-anisylpiperidin-1-ium-4-yl)azepan-1-ium Formula: C19H32N2O+2 MolecularWeight: 304.47018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CCCCCC3

InChI

InChI=1S/C19H30N2O/c1-22-19-8-6-7-17(15-19)16-20-13-9-18(10-14-20)21-11-4-2-3-5-12-21/h6-8,15,18H,2-5,9-14,16H2,1H3/p+2