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

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-phenyl-1-adamantyl]methanone Formula: C22H31N2O+ MolecularWeight: 339.49434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O/c1-23-7-9-24(10-8-23)20(25)22-14-17-11-18(15-22)13-21(12-17,16-22)19-5-3-2-4-6-19/h2-6,17-18H,7-16H2,1H3/p+1/t17-,18+,21?,22?