6-[[(4R)-2,2-dimethyloxan-4-yl]amino]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide

Systemtic Name: 6-[[(4R)-2,2-dimethyloxan-4-yl]amino]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Openeye Name: 6-[[(4R)-2,2-dimethyltetrahydropyran-4-yl]amino]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide CAS Name: 6-[[(4R)-2,2-dimethyl-4-oxanyl]amino]-N-[3-(2-pyridinyl)propyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-[[(4R)-2,2-dimethyloxan-4-yl]amino]-N-(3-pyridin-2-ylpropyl)pyridin-1-ium-3-carboxamide Traditional Name: 6-[[(4R)-2,2-dimethyltetrahydropyran-4-yl]amino]-N-[3-(2-pyridyl)propyl]pyridin-1-ium-3-carboxamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)NC2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3)C

Isomeric SMILES

CC1(C[C@@H](CCO1)NC2=[NH+]C=C(C=C2)C(=O)NCCCC3=CC=CC=N3)C

InChI

InChI=1S/C21H28N4O2/c1-21(2)14-18(10-13-27-21)25-19-9-8-16(15-24-19)20(26)23-12-5-7-17-6-3-4-11-22-17/h3-4,6,8-9,11,15,18H,5,7,10,12-14H2,1-2H3,(H,23,26)(H,24,25)/p+1/t18-/m1/s1