2-chloranyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidin-1-iumyl)ethyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ium-1-ylethyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(2R)-2-(1-methylindolin-5-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-nitro-benzamide Formula: C23H28ClN4O3+ MolecularWeight: 443.94642

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)[NH+]4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)[C@H](CNC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)[NH+]4CCCCC4

InChI

InChI=1S/C23H27ClN4O3/c1-26-12-9-17-13-16(5-8-21(17)26)22(27-10-3-2-4-11-27)15-25-23(29)19-7-6-18(28(30)31)14-20(19)24/h5-8,13-14,22H,2-4,9-12,15H2,1H3,(H,25,29)/p+1/t22-/m0/s1