[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: [1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: (4-benzylpiperazino)-(1-o-anisylpiperidin-1-ium-4-yl)methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

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