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

Systemtic Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-cyclopentyl-4-piperidin-1-iumyl)-N-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-cyclopentylpiperidin-1-ium-4-yl)-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C22H36N4O+2 MolecularWeight: 372.54744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H34N4O/c27-22(24-16-18-5-3-11-23-15-18)19-6-4-12-26(17-19)21-9-13-25(14-10-21)20-7-1-2-8-20/h3,5,11,15,19-21H,1-2,4,6-10,12-14,16-17H2,(H,24,27)/p+2/t19-/m0/s1