2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-aniline

Systemtic Name: 2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-aniline Openeye Name: 2-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-aniline CAS Name: 2-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-4-nitroaniline IUPAC Name: 2-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-4-nitroaniline Traditional Name: (2-chloro-4-nitro-phenyl)-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]amine Formula: C17H21ClN3O3+ MolecularWeight: 350.81994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O3/c18-14-11-13(21(22)23)6-7-15(14)19-12-16(17-5-4-10-24-17)20-8-2-1-3-9-20/h4-7,10-11,16,19H,1-3,8-9,12H2/p+1/t16-/m0/s1