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

Systemtic Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(1-adamantyl)-1-piperazin-4-iumyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(1-adamantyl)piperazin-4-ium-1-yl]-(4-nitrophenyl)methanone Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O3/c25-20(18-1-3-19(4-2-18)24(26)27)22-5-7-23(8-6-22)21-12-15-9-16(13-21)11-17(10-15)14-21/h1-4,15-17H,5-14H2/p+1