3-[(3R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-[(4-methoxy-2-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-[(2-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-(2-hydroxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C25H36N4O3+2 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)O

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)O

InChI

InChI=1S/C25H34N4O3/c1-32-22-9-8-21(23(30)17-22)19-27-12-4-5-20(18-27)7-10-25(31)29-15-13-28(14-16-29)24-6-2-3-11-26-24/h2-3,6,8-9,11,17,20,30H,4-5,7,10,12-16,18-19H2,1H3/p+2/t20-/m1/s1