1-adamantyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1-adamantyl-(4-benzylpiperazin-4-ium-1-yl)methanone CAS Name: 1-adamantyl-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1-adamantyl-(4-benzylpiperazin-4-ium-1-yl)methanone Traditional Name: 1-adamantyl-(4-benzylpiperazin-4-ium-1-yl)methanone Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O/c25-21(22-13-18-10-19(14-22)12-20(11-18)15-22)24-8-6-23(7-9-24)16-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2/p+1