3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide

Systemtic Name: 3-[4-(4-methoxyphenyl)-3-oxidanylidene-quinoxalin-2-yl]-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[4-(4-methoxyphenyl)-3-oxo-quinoxalin-2-yl]propanamide CAS Name: 3-[4-(4-methoxyphenyl)-3-oxo-2-quinoxalinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[3-keto-4-(4-methoxyphenyl)quinoxalin-2-yl]propionamide Formula: C29H31N4O3+ MolecularWeight: 483.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)NC4CC[NH+](C4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C(C2=O)CCC(=O)N[C@H]4CC[NH+](C4)CC5=CC=CC=C5

InChI

InChI=1S/C29H30N4O3/c1-36-24-13-11-23(12-14-24)33-27-10-6-5-9-25(27)31-26(29(33)35)15-16-28(34)30-22-17-18-32(20-22)19-21-7-3-2-4-8-21/h2-14,22H,15-20H2,1H3,(H,30,34)/p+1/t22-/m0/s1