(3S)-N-(3-methylbutyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(3-methylbutyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-isopentyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(3-methylbutyl)-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(3-methylbutyl)-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-isoamyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C22H38N4O+2 MolecularWeight: 374.56332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)CCNC(=O)[C@H]1CCC[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H36N4O/c1-18(2)5-12-24-22(27)20-4-3-13-26(17-20)21-8-14-25(15-9-21)16-19-6-10-23-11-7-19/h6-7,10-11,18,20-21H,3-5,8-9,12-17H2,1-2H3,(H,24,27)/p+2/t20-/m0/s1