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

Systemtic Name: [1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-ethoxy-2-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=C(C(=CC=C4)OCC)O

Isomeric SMILES

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

InChI

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