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

Systemtic Name: [1-[(3-ethoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(3-ethoxy-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-ethoxy-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-[1-(3-ethoxy-2-hydroxy-benzyl)piperidin-1-ium-4-yl]methanone Formula: C26H36N3O3+ MolecularWeight: 438.58234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H35N3O3/c1-2-32-24-10-6-9-23(25(24)30)20-27-13-11-22(12-14-27)26(31)29-17-15-28(16-18-29)19-21-7-4-3-5-8-21/h3-10,22,30H,2,11-20H2,1H3/p+1