1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane

Systemtic Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Traditional Name: 1-[1-(2,4-dimethoxybenzyl)piperidin-1-ium-4-yl]azepane Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3CCCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3CCCCCC3)OC

InChI

InChI=1S/C20H32N2O2/c1-23-19-8-7-17(20(15-19)24-2)16-21-13-9-18(10-14-21)22-11-5-3-4-6-12-22/h7-8,15,18H,3-6,9-14,16H2,1-2H3/p+1