4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzaldehyde

Systemtic Name: 4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzaldehyde Openeye Name: 4-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzaldehyde CAS Name: 4-[[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]amino]-3-nitrobenzaldehyde IUPAC Name: 4-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]amino]-3-nitrobenzaldehyde Traditional Name: 4-[[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amino]-3-nitro-benzaldehyde Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC2=C(C=C(C=C2)C=O)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H21N3O4/c22-13-14-6-7-15(16(11-14)21(23)24)19-12-17(18-5-4-10-25-18)20-8-2-1-3-9-20/h4-7,10-11,13,17,19H,1-3,8-9,12H2/p+1/t17-/m0/s1