N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(5-methylisoxazol-3-yl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-14-13-16(19-23-14)18-17(22)7-8-20-9-11-21(12-10-20)15-5-3-2-4-6-15/h2-6,13H,7-12H2,1H3,(H,18,19,22)/p+1