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

Systemtic Name: 3-methoxy-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Openeye Name: 3-methoxy-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide CAS Name: 3-methoxy-N-[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]benzamide IUPAC Name: 3-methoxy-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Traditional Name: 3-methoxy-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]benzamide Formula: C19H31N3O2+2 MolecularWeight: 333.46834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-21-11-8-17(9-12-21)22-10-4-6-16(14-22)20-19(23)15-5-3-7-18(13-15)24-2/h3,5,7,13,16-17H,4,6,8-12,14H2,1-2H3,(H,20,23)/p+2/t16-/m1/s1