N-(4-bromanyl-3-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H25BrN3O+ MolecularWeight: 403.336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O/c1-16-15-17(7-8-19(16)21)22-20(25)9-10-23-11-13-24(14-12-23)18-5-3-2-4-6-18/h2-8,15H,9-14H2,1H3,(H,22,25)/p+1