2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide

Systemtic Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)ethanamide Openeye Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide CAS Name: 2-[4-[[(cyclohexylamino)-oxomethyl]amino]-1-piperidin-1-iumyl]-N-(3-nitrophenyl)acetamide IUPAC Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Traditional Name: 2-[4-(cyclohexylcarbamoylamino)piperidin-1-ium-1-yl]-N-(3-nitrophenyl)acetamide Formula: C20H30N5O4+ MolecularWeight: 404.4833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)NC2CC[NH+](CC2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N5O4/c26-19(21-17-7-4-8-18(13-17)25(28)29)14-24-11-9-16(10-12-24)23-20(27)22-15-5-2-1-3-6-15/h4,7-8,13,15-16H,1-3,5-6,9-12,14H2,(H,21,26)(H2,22,23,27)/p+1