1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium CAS Name: 1-[1-[(3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[1-[(3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(1-m-anisylpiperidin-1-ium-4-yl)piperazine-1,4-diium Formula: C24H36N3O+3 MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC(CC2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O/c1-28-24-9-5-8-22(18-24)20-25-12-10-23(11-13-25)27-16-14-26(15-17-27)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19-20H2,1H3/p+3