3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide

Systemtic Name: 3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Openeye Name: 3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide CAS Name: 3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-N-(2-phenoxyphenyl)propanamide IUPAC Name: 3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propanamide Traditional Name: 3-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-N-(2-phenoxyphenyl)propionamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CCC(=O)NC3=CC=CC=C3OC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3/c30-24(26-22-10-4-5-11-23(22)32-21-8-2-1-3-9-21)12-15-27-16-18-28(19-17-27)20-25(31)29-13-6-7-14-29/h1-5,8-11H,6-7,12-20H2,(H,26,30)/p+1