N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-chloranyl-benzamide

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]-4-chloranyl-benzamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]-4-chloro-benzamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-3-oxopropyl]-4-chlorobenzamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-3-oxopropyl]-4-chlorobenzamide Traditional Name: 4-chloro-N-[3-keto-3-(4-piperonylpiperazin-4-ium-1-yl)propyl]benzamide Formula: C22H25ClN3O4+ MolecularWeight: 430.9046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCNC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3O4/c23-18-4-2-17(3-5-18)22(28)24-8-7-21(27)26-11-9-25(10-12-26)14-16-1-6-19-20(13-16)30-15-29-19/h1-6,13H,7-12,14-15H2,(H,24,28)/p+1