[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-(1-m-anisylpiperidin-1-ium-4-yl)methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-30-24-9-5-8-22(18-24)20-26-12-10-23(11-13-26)25(29)28-16-14-27(15-17-28)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19-20H2,1H3/p+1