2-piperidin-1-ium-1-ylethyl 3-nitrobenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3-nitrobenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C14H19N2O4+ MolecularWeight: 279.31166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O4/c17-14(12-5-4-6-13(11-12)16(18)19)20-10-9-15-7-2-1-3-8-15/h4-6,11H,1-3,7-10H2/p+1