2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[5-[(3R)-3-methylpiperidin-1-yl]-2-nitro-phenyl]ethanamide

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[5-[(3R)-3-methylpiperidin-1-yl]-2-nitro-phenyl]ethanamide Openeye Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[5-[(3R)-3-methyl-1-piperidyl]-2-nitro-phenyl]acetamide CAS Name: 2-[(3S)-3-methyl-1-piperidin-1-iumyl]-N-[5-[(3R)-3-methyl-1-piperidinyl]-2-nitrophenyl]acetamide IUPAC Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[5-[(3R)-3-methylpiperidin-1-yl]-2-nitrophenyl]acetamide Traditional Name: 2-[(3S)-3-methylpiperidin-1-ium-1-yl]-N-[5-[(3R)-3-methylpiperidino]-2-nitro-phenyl]acetamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)N3CCCC(C3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(C=CC(=C2)N3CCC[C@H](C3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O3/c1-15-5-3-9-22(12-15)14-20(25)21-18-11-17(7-8-19(18)24(26)27)23-10-4-6-16(2)13-23/h7-8,11,15-16H,3-6,9-10,12-14H2,1-2H3,(H,21,25)/p+1/t15-,16+/m0/s1