1-adamantyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]ammonium Formula: C22H31ClN3O+ MolecularWeight: 388.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30ClN3O/c23-19-2-1-3-20(11-19)25-4-6-26(7-5-25)21(27)15-24-22-12-16-8-17(13-22)10-18(9-16)14-22/h1-3,11,16-18,24H,4-10,12-15H2/p+1