(3S)-1-(1-cyclobutylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)C3CCC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H32N4O/c26-21(23-15-17-4-2-10-22-14-17)18-5-3-11-25(16-18)20-8-12-24(13-9-20)19-6-1-7-19/h2,4,10,14,18-20H,1,3,5-9,11-13,15-16H2,(H,23,26)/p+2/t18-/m0/s1