1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane

Systemtic Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]azepane Traditional Name: 1-(1-o-veratrylpiperidin-1-ium-4-yl)azepane Formula: C20H33N2O2+ MolecularWeight: 333.48822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1OC)C[NH+]2CCC(CC2)N3CCCCCC3

InChI

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