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

Systemtic Name: [1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(1-vanillylpiperidin-1-ium-4-yl)methanone Formula: C25H35N3O3+2 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H33N3O3/c1-31-24-17-21(7-8-23(24)29)19-26-11-9-22(10-12-26)25(30)28-15-13-27(14-16-28)18-20-5-3-2-4-6-20/h2-8,17,22,29H,9-16,18-19H2,1H3/p+2