[1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: (4-ethylpiperazin-1-yl)-[1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: (4-ethyl-1-piperazinyl)-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: (4-ethylpiperazin-1-yl)-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-ethylpiperazino)-[1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C21H34N3O4+ MolecularWeight: 392.51236

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C21H33N3O4/c1-4-22-9-11-24(12-10-22)21(26)17-5-7-23(8-6-17)15-16-13-18(27-2)20(25)19(14-16)28-3/h13-14,17,25H,4-12,15H2,1-3H3/p+1