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

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

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