3-nitro-4-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]benzaldehyde

Systemtic Name: 3-nitro-4-[[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]benzaldehyde Openeye Name: 4-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-nitro-benzaldehyde CAS Name: 3-nitro-4-[[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]benzaldehyde IUPAC Name: 4-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-nitrobenzaldehyde Traditional Name: 4-[[(3R)-1-benzylpyrrolidin-1-ium-3-yl]amino]-3-nitro-benzaldehyde Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@@H]1NC2=C(C=C(C=C2)C=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O3/c22-13-15-6-7-17(18(10-15)21(23)24)19-16-8-9-20(12-16)11-14-4-2-1-3-5-14/h1-7,10,13,16,19H,8-9,11-12H2/p+1/t16-/m1/s1