(3S)-1-[3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[3-[(4-methoxy-2-nitro-phenyl)amino]-3-oxidanylidene-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[3-(4-methoxy-2-nitro-anilino)-3-oxo-propyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[3-keto-3-(4-methoxy-2-nitro-anilino)propyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C22H27N4O5+ MolecularWeight: 427.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCCC(C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CC[NH+]2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-31-18-9-10-19(20(14-18)26(29)30)24-21(27)11-13-25-12-5-6-16(15-25)22(28)23-17-7-3-2-4-8-17/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3,(H,23,28)(H,24,27)/p+1/t16-/m0/s1