4-bromanyl-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-bromo-N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-bromo-N-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-bromo-N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-bromo-N-[3-keto-3-[4-(2-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=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)Br

InChI

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