methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H23ClN3O5+ MolecularWeight: 432.87742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O5/c1-30-21(27)16-10-15(11-19(12-16)25(28)29)20(26)23-18-6-8-24(9-7-18)13-14-2-4-17(22)5-3-14/h2-5,10-12,18H,6-9,13H2,1H3,(H,23,26)/p+1