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

Systemtic Name: 4-(2-methoxyethylamino)-3-nitro-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: 4-(2-methoxyethylamino)-3-nitro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-29-12-10-22-19-8-7-17(13-20(19)25(27)28)21(26)23-18-9-11-24(15-18)14-16-5-3-2-4-6-16/h2-8,13,18,22H,9-12,14-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1