4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butylazanium

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butylazanium Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butylammonium CAS Name: 4-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butylazanium Traditional Name: 4-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]butylammonium Formula: C14H24ClN3+2 MolecularWeight: 269.81346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCC[NH3+])C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCC[NH3+])C2=CC(=CC=C2)Cl

InChI

InChI=1S/C14H22ClN3/c15-13-4-3-5-14(12-13)18-10-8-17(9-11-18)7-2-1-6-16/h3-5,12H,1-2,6-11,16H2/p+2