(2R)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide

Systemtic Name: (2R)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide Openeye Name: (2R)-2-acetamido-3-(m-tolyl)-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]propanamide CAS Name: (2R)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(3-methylphenyl)-N-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]propanamide Traditional Name: (2R)-2-acetamido-3-(m-tolyl)-N-[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]propionamide Formula: C22H28N5O4+ MolecularWeight: 426.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[C@H](C(=O)NC2CCN(CC2)C3=C(C=CC=[NH+]3)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C22H27N5O4/c1-15-5-3-6-17(13-15)14-19(24-16(2)28)22(29)25-18-8-11-26(12-9-18)21-20(27(30)31)7-4-10-23-21/h3-7,10,13,18-19H,8-9,11-12,14H2,1-2H3,(H,24,28)(H,25,29)/p+1/t19-/m1/s1