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

Systemtic Name: [1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-(4-hydroxy-3,5-dimethoxy-benzyl)piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C25H34N3O4+ MolecularWeight: 440.55516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4/c1-31-22-16-19(17-23(32-2)24(22)29)18-26-10-8-20(9-11-26)25(30)28-14-12-27(13-15-28)21-6-4-3-5-7-21/h3-7,16-17,20,29H,8-15,18H2,1-2H3/p+1