5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide CAS Name: 5-methoxy-4-(2-methoxyethoxy)-2-nitro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methoxy-4-(2-methoxyethoxy)-2-nitrobenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-5-methoxy-4-(2-methoxyethoxy)-2-nitro-benzamide Formula: C22H28N3O6+ MolecularWeight: 430.47422

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)OC

Isomeric SMILES

COCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C22H27N3O6/c1-29-10-11-31-21-13-19(25(27)28)18(12-20(21)30-2)22(26)23-17-8-9-24(15-17)14-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14-15H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1