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

Systemtic Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-isopropylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C20H34N4O+2 MolecularWeight: 346.51016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C20H32N4O/c1-16(2)23-12-8-19(9-13-23)24-11-5-6-17(15-24)20(25)22-14-18-7-3-4-10-21-18/h3-4,7,10,16-17,19H,5-6,8-9,11-15H2,1-2H3,(H,22,25)/p+2/t17-/m0/s1