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

Systemtic Name: N-cyclopropyl-2-[4-[(3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(3S)-1-(2-methoxy-5-methyl-phenyl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[[(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(3S)-1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(3S)-5-keto-1-(2-methoxy-5-methyl-phenyl)pyrrolidine-3-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C22H31N4O4+ MolecularWeight: 415.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C[C@H](CC2=O)C(=O)N3CC[NH+](CC3)CC(=O)NC4CC4

InChI

InChI=1S/C22H30N4O4/c1-15-3-6-19(30-2)18(11-15)26-13-16(12-21(26)28)22(29)25-9-7-24(8-10-25)14-20(27)23-17-4-5-17/h3,6,11,16-17H,4-5,7-10,12-14H2,1-2H3,(H,23,27)/p+1/t16-/m0/s1