4-chloranyl-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzamide

Systemtic Name: 4-chloranyl-N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]-4-chloro-benzamide CAS Name: 4-chloro-N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]-4-chlorobenzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]-4-chloro-benzamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c23-20-10-8-19(9-11-20)22(28)24-12-4-7-21(27)26-15-13-25(14-16-26)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2,(H,24,28)/p+1