(2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)[NH+]1CCN(CC1)C2=CC(=CC=C2)OC

InChI

InChI=1S/C16H24N4O3/c1-12(15(21)18-16(22)17-2)19-7-9-20(10-8-19)13-5-4-6-14(11-13)23-3/h4-6,11-12H,7-10H2,1-3H3,(H2,17,18,21,22)/p+1/t12-/m1/s1