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

Systemtic Name: (3S)-1-[1-(cyclopropylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropylmethyl)piperidin-1-ium-4-yl]-N-(3-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(cyclopropylmethyl)-4-piperidin-1-iumyl]-N-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropylmethyl)piperidin-1-ium-4-yl]-N-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropylmethyl)piperidin-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(C[NH+](C1)C2CC[NH+](CC2)CC3CC3)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3CC3)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H32N4O/c26-21(23-14-18-3-1-9-22-13-18)19-4-2-10-25(16-19)20-7-11-24(12-8-20)15-17-5-6-17/h1,3,9,13,17,19-20H,2,4-8,10-12,14-16H2,(H,23,26)/p+2/t19-/m0/s1