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

Systemtic Name: N-butyl-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(3,4-dichlorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(3,4-dichlorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-(3,4-dichlorobenzyl)piperazin-4-ium-1-carboxamide Formula: C16H24Cl2N3O+ MolecularWeight: 345.28726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23Cl2N3O/c1-2-3-6-19-16(22)21-9-7-20(8-10-21)12-13-4-5-14(17)15(18)11-13/h4-5,11H,2-3,6-10,12H2,1H3,(H,19,22)/p+1