2-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[[(3S)-1-[(2-chlorophenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(3S)-1-(2-chlorobenzyl)-5-keto-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C21H28ClN4O3+ MolecularWeight: 419.92502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC(=O)N(C3)CC4=CC=CC=C4Cl

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3CC(=O)N(C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H27ClN4O3/c22-18-4-2-1-3-15(18)12-26-13-16(11-20(26)28)21(29)25-9-7-24(8-10-25)14-19(27)23-17-5-6-17/h1-4,16-17H,5-14H2,(H,23,27)/p+1/t16-/m0/s1