2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone

Systemtic Name: 2-[4-(1-adamantylcarbonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Openeye Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazin-1-iumyl]-1-(1H-pyrrol-2-yl)ethanone IUPAC Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazin-1-ium-1-yl]-1-(1H-pyrrol-2-yl)ethanone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)C2=CC=CN2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3O2/c25-19(18-2-1-3-22-18)14-23-4-6-24(7-5-23)20(26)21-11-15-8-16(12-21)10-17(9-15)13-21/h1-3,15-17,22H,4-14H2/p+1