N-(1-adamantyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(1-adamantyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(1-adamantyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(1-adamantyl)-4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(1-adamantyl)-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(1-adamantyl)-4-(3,4-dichlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C22H30Cl2N3O+ MolecularWeight: 423.3991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29Cl2N3O/c23-19-2-1-15(10-20(19)24)14-26-3-5-27(6-4-26)21(28)25-22-11-16-7-17(12-22)9-18(8-16)13-22/h1-2,10,16-18H,3-9,11-14H2,(H,25,28)/p+1