methyl 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzoate

Systemtic Name: methyl 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzoate Openeye Name: methyl 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzoate CAS Name: 2-[(4-methyl-1-piperidin-1-iumyl)methyl]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitrobenzoate Traditional Name: 2-[(4-methylpiperidin-1-ium-1-yl)methyl]-3-nitro-benzoic acid methyl ester Formula: C15H21N2O4+ MolecularWeight: 293.33824

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C15H20N2O4/c1-11-6-8-16(9-7-11)10-13-12(15(18)21-2)4-3-5-14(13)17(19)20/h3-5,11H,6-10H2,1-2H3/p+1