N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C23H33ClN3O+ MolecularWeight: 402.98062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H32ClN3O/c24-20-2-1-3-21(11-20)27-6-4-26(5-7-27)15-22(28)25-16-23-12-17-8-18(13-23)10-19(9-17)14-23/h1-3,11,17-19H,4-10,12-16H2,(H,25,28)/p+1