1-phenyl-4-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-4-yl]piperazin-4-ium Openeye Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium CAS Name: 1-phenyl-4-[1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-piperidin-1-iumyl]piperazin-4-ium IUPAC Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-4-phenylpiperazin-1-ium Traditional Name: 1-[1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]-4-phenyl-piperazin-1-ium Formula: C27H41N4+3 MolecularWeight: 421.64124

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CCC(CC2)[NH+]3CCN(CC3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H38N4/c1-3-7-24(8-4-1)23-28-15-11-26(12-16-28)29-17-13-27(14-18-29)31-21-19-30(20-22-31)25-9-5-2-6-10-25/h1-10,26-27H,11-23H2/p+3