N-[3-chloranyl-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[3-chloranyl-4-(2-piperidin-1-ium-1-ylethanoylamino)phenyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[3-chloro-4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]phenyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H31ClN4O2+2 MolecularWeight: 394.93874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C[NH+]3CCCCC3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)NC(=O)C[NH+]3CCCCC3)Cl

InChI

InChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)/p+2