ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride

Systemtic Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride Openeye Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylate chloride CAS Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-4-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenylpiperidin-1-ium-4-carboxylate chloride Traditional Name: 1-[(5-nitro-1H-indol-3-yl)methyl]-4-phenyl-piperidin-1-ium-4-carboxylic acid ethyl ester chloride Formula: C23H26ClN3O4 MolecularWeight: 443.92324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CNC3=C2C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C23H25N3O4.ClH/c1-2-30-22(27)23(18-6-4-3-5-7-18)10-12-25(13-11-23)16-17-15-24-21-9-8-19(26(28)29)14-20(17)21;/h3-9,14-15,24H,2,10-13,16H2,1H3;1H