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

Systemtic Name: (3S)-N-cyclobutyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclobutyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclobutyl-1-[1-(pyridin-4-ylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclobutyl-1-[1-(pyridin-4-ylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclobutyl-1-[1-(4-pyridylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H34N4O+2 MolecularWeight: 358.52086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=NC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC=NC=C3)C(=O)NC4CCC4

InChI

InChI=1S/C21H32N4O/c26-21(23-19-4-1-5-19)18-3-2-12-25(16-18)20-8-13-24(14-9-20)15-17-6-10-22-11-7-17/h6-7,10-11,18-20H,1-5,8-9,12-16H2,(H,23,26)/p+2/t18-/m0/s1