N-(3-bromanyl-4-methyl-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(3-bromo-4-methylphenyl)-3-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(3-bromo-4-methylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(3-bromo-4-methyl-phenyl)-3-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]propionamide Formula: C16H25BrN3O2+ MolecularWeight: 371.2926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24BrN3O2/c1-13-2-3-14(12-15(13)17)18-16(22)4-5-19-6-8-20(9-7-19)10-11-21/h2-3,12,21H,4-11H2,1H3,(H,18,22)/p+1