2,3-dimethyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: 2,3-dimethyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide CAS Name: 2,3-dimethyl-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2,3-dimethylquinoxaline-6-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2,3-dimethyl-quinoxaline-6-carboxamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)N=C1C

InChI

InChI=1S/C22H24N4O/c1-15-16(2)24-21-12-18(8-9-20(21)23-15)22(27)25-19-10-11-26(14-19)13-17-6-4-3-5-7-17/h3-9,12,19H,10-11,13-14H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1