[4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(1-adamantylcarbonyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Openeye Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone CAS Name: [4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-[4-(1-piperidin-1-iumylmethyl)phenyl]methanone IUPAC Name: [4-(adamantane-1-carbonyl)piperazin-1-yl]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Traditional Name: [4-(adamantane-1-carbonyl)piperazino]-[4-(piperidin-1-ium-1-ylmethyl)phenyl]methanone Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H39N3O2/c32-26(25-6-4-21(5-7-25)20-29-8-2-1-3-9-29)30-10-12-31(13-11-30)27(33)28-17-22-14-23(18-28)16-24(15-22)19-28/h4-7,22-24H,1-3,8-20H2/p+1