2-chloranyl-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 2-chloro-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 2-chloro-N-[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 2-chloro-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 2-chloro-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C18H28ClN3O+2 MolecularWeight: 337.88742

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@H](C2)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H26ClN3O/c1-21-11-8-15(9-12-21)22-10-4-5-14(13-22)20-18(23)16-6-2-3-7-17(16)19/h2-3,6-7,14-15H,4-5,8-13H2,1H3,(H,20,23)/p+2/t14-/m1/s1