[1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-4-yl]-(4-o-phenetylpiperazino)methanone Formula: C26H35BrN3O4+ MolecularWeight: 533.4778

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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)Br)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H34BrN3O4/c1-3-34-23-7-5-4-6-22(23)29-12-14-30(15-13-29)26(32)20-8-10-28(11-9-20)18-19-16-21(27)25(31)24(17-19)33-2/h4-7,16-17,20,31H,3,8-15,18H2,1-2H3/p+1