N-butyl-4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-butyl-4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-(2-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=C2Cl

Isomeric SMILES

CCCCNC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2Cl

InChI

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