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

Systemtic Name: [1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(3-ethoxy-4-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-ethoxy-4-hydroxy-benzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C27H38N3O4+ MolecularWeight: 468.60832

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O4/c1-3-33-25-8-6-5-7-23(25)29-15-17-30(18-16-29)27(32)22-11-13-28(14-12-22)20-21-9-10-24(31)26(19-21)34-4-2/h5-10,19,22,31H,3-4,11-18,20H2,1-2H3/p+1