(3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-N-(2-pyridin-4-ylethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(2-pyridin-4-ylethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-[2-(4-pyridyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=NC=C3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=NC=C3

InChI

InChI=1S/C21H34N4O/c1-17(2)24-14-8-20(9-15-24)25-13-3-4-19(16-25)21(26)23-12-7-18-5-10-22-11-6-18/h5-6,10-11,17,19-20H,3-4,7-9,12-16H2,1-2H3,(H,23,26)/p+2/t19-/m0/s1