N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-pyridin-2-yl-propanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-pyridin-2-yl-propanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(2-pyridyl)propanamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-3-(2-pyridinyl)propanamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-pyridin-2-ylpropanamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-3-(2-pyridyl)propionamide Formula: C19H32N4O+2 MolecularWeight: 332.48358

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCC3=CC=CC=N3

InChI

InChI=1S/C19H30N4O/c1-22-13-9-18(10-14-22)23-12-4-6-17(15-23)21-19(24)8-7-16-5-2-3-11-20-16/h2-3,5,11,17-18H,4,6-10,12-15H2,1H3,(H,21,24)/p+2/t17-/m0/s1