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

Systemtic Name: 1-adamantyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl]ammonium Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C24H35N3O/c1-17-4-3-5-22(18(17)2)26-6-8-27(9-7-26)23(28)16-25-24-13-19-10-20(14-24)12-21(11-19)15-24/h3-5,19-21,25H,6-16H2,1-2H3/p+1