4-(1-adamantylmethyl)-N-(2-chlorophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1-adamantylmethyl)-N-(2-chlorophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1-adamantylmethyl)-N-(2-chlorophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1-adamantylmethyl)-N-(2-chlorophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1-adamantylmethyl)-N-(2-chlorophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(1-adamantylmethyl)-N-(2-chlorophenyl)piperazin-4-ium-1-carboxamide Formula: C22H31ClN3O+ MolecularWeight: 388.95404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CC[NH+]1CC23CC4CC(C2)CC(C4)C3)C(=O)NC5=CC=CC=C5Cl

InChI

InChI=1S/C22H30ClN3O/c23-19-3-1-2-4-20(19)24-21(27)26-7-5-25(6-8-26)15-22-12-16-9-17(13-22)11-18(10-16)14-22/h1-4,16-18H,5-15H2,(H,24,27)/p+1