(2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Systemtic Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Openeye Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propanamide CAS Name: (2S)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-N-(5-methyl-3-isoxazolyl)propanamide IUPAC Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide Traditional Name: (2S)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H25N4O3+ MolecularWeight: 345.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C18H24N4O3/c1-13-12-17(20-25-13)19-18(23)14(2)21-8-10-22(11-9-21)15-6-4-5-7-16(15)24-3/h4-7,12,14H,8-11H2,1-3H3,(H,19,20,23)/p+1/t14-/m0/s1