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

Systemtic Name: [1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-yl]-(4-benzylpiperazino)methanone Formula: C32H40N3O3+ MolecularWeight: 514.6783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C32H39N3O3/c1-37-31-22-28(12-13-30(31)38-25-27-10-6-3-7-11-27)24-33-16-14-29(15-17-33)32(36)35-20-18-34(19-21-35)23-26-8-4-2-5-9-26/h2-13,22,29H,14-21,23-25H2,1H3/p+1