4-[(4-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-[3-(1-imidazolyl)propyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-(3-imidazol-1-ylpropyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-(3-imidazol-1-ylpropyl)piperazin-4-ium-1-carboxamide Formula: C18H25ClN5O+ MolecularWeight: 362.877

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)NCCCN3C=CN=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)C(=O)NCCCN3C=CN=C3

InChI

InChI=1S/C18H24ClN5O/c19-17-4-2-16(3-5-17)14-22-10-12-24(13-11-22)18(25)21-6-1-8-23-9-7-20-15-23/h2-5,7,9,15H,1,6,8,10-14H2,(H,21,25)/p+1