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

Systemtic Name: N-cyclopropyl-2-[4-[(3R)-1-[(4-methylphenyl)methyl]-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(3R)-5-oxo-1-(p-tolylmethyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[(3R)-1-[(4-methylphenyl)methyl]-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(3R)-5-keto-1-(4-methylbenzyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O3+ MolecularWeight: 399.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C[C@@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H30N4O3/c1-16-2-4-17(5-3-16)13-26-14-18(12-21(26)28)22(29)25-10-8-24(9-11-25)15-20(27)23-19-6-7-19/h2-5,18-19H,6-15H2,1H3,(H,23,27)/p+1/t18-/m1/s1