N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-2-nitro-benzamide Openeye Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-2-nitro-benzamide CAS Name: N-[1-[(4-chlorophenyl)methyl]-4-piperidin-1-iumyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-methyl-2-nitrobenzamide Traditional Name: N-[1-(4-chlorobenzyl)piperidin-1-ium-4-yl]-3-methyl-2-nitro-benzamide Formula: C20H23ClN3O3+ MolecularWeight: 388.86792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O3/c1-14-3-2-4-18(19(14)24(26)27)20(25)22-17-9-11-23(12-10-17)13-15-5-7-16(21)8-6-15/h2-8,17H,9-13H2,1H3,(H,22,25)/p+1