4-bromanyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]propyl]benzamide Formula: C22H27BrN3O2+ MolecularWeight: 445.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H26BrN3O2/c1-17-3-2-4-18(15-17)16-25-11-13-26(14-12-25)21(27)9-10-24-22(28)19-5-7-20(23)8-6-19/h2-8,15H,9-14,16H2,1H3,(H,24,28)/p+1