[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [4-(2-ethoxyphenyl)-1-piperazinyl]-[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: [4-(2-ethoxyphenyl)piperazin-1-yl]-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-o-phenetylpiperazino)-(1-vanillylpiperidin-1-ium-4-yl)methanone Formula: C26H36N3O4+ MolecularWeight: 454.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3CC[NH+](CC3)CC4=CC(=C(C=C4)O)OC

InChI

InChI=1S/C26H35N3O4/c1-3-33-24-7-5-4-6-22(24)28-14-16-29(17-15-28)26(31)21-10-12-27(13-11-21)19-20-8-9-23(30)25(18-20)32-2/h4-9,18,21,30H,3,10-17,19H2,1-2H3/p+1