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

Systemtic Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone CAS Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[(5S,7R)-3-(p-tolyl)-1-adamantyl]methanone Formula: C23H33N2O+ MolecularWeight: 353.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C23H32N2O/c1-17-3-5-20(6-4-17)22-12-18-11-19(13-22)15-23(14-18,16-22)21(26)25-9-7-24(2)8-10-25/h3-6,18-19H,7-16H2,1-2H3/p+1/t18-,19+,22?,23?