1-(4-phenylcyclohexyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-(4-phenylcyclohexyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium CAS Name: 1-(4-phenylcyclohexyl)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-phenylcyclohexyl)piperazine-1,4-diium Formula: C28H42N3+3 MolecularWeight: 420.65318

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)[NH+]3CC[NH+](CC3)C4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H39N3/c1-3-7-24(8-4-1)23-29-17-15-28(16-18-29)31-21-19-30(20-22-31)27-13-11-26(12-14-27)25-9-5-2-6-10-25/h1-10,26-28H,11-23H2/p+3