N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H38N3O+ MolecularWeight: 396.58872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC(C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N[C@H](C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H37N3O/c1-18-5-3-4-6-23(18)28-9-7-27(8-10-28)17-24(29)26-19(2)25-14-20-11-21(15-25)13-22(12-20)16-25/h3-6,19-22H,7-17H2,1-2H3,(H,26,29)/p+1/t19-,20?,21?,22?,25?/m1/s1