(4-ethylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C23CC4CC(C2)CC(C4)(C3)C5=CC=C(C=C5)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C5=CC=C(C=C5)C

InChI

InChI=1S/C24H34N2O/c1-3-25-8-10-26(11-9-25)22(27)24-15-19-12-20(16-24)14-23(13-19,17-24)21-6-4-18(2)5-7-21/h4-7,19-20H,3,8-17H2,1-2H3/p+1/t19-,20+,23?,24?