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

Systemtic Name: N-butyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-(3-chlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C16H25ClN3O+ MolecularWeight: 310.8422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H24ClN3O/c1-2-3-7-18-16(21)20-10-8-19(9-11-20)13-14-5-4-6-15(17)12-14/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,21)/p+1