methyl 2-[3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoyl]benzoate CAS Name: 2-[[3-nitro-4-[(1-propan-2-yl-4-piperidin-1-iumyl)amino]phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-[(1-propan-2-ylpiperidin-1-ium-4-yl)amino]benzoyl]benzoate Traditional Name: 2-[4-[(1-isopropylpiperidin-1-ium-4-yl)amino]-3-nitro-benzoyl]benzoic acid methyl ester Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-15(2)25-12-10-17(11-13-25)24-20-9-8-16(14-21(20)26(29)30)22(27)18-6-4-5-7-19(18)23(28)31-3/h4-9,14-15,17,24H,10-13H2,1-3H3/p+1