4-morpholin-4-yl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-2-carboxamide

Systemtic Name: 4-morpholin-4-yl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]pyridine-2-carboxamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholino-pyridine-2-carboxamide CAS Name: 4-(4-morpholinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-2-pyridinecarboxamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholin-4-ylpyridine-2-carboxamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-morpholino-picolinamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=NC=CC(=C2)N3CCOCC3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=NC=CC(=C2)N3CCOCC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H26N4O2/c26-21(20-14-19(6-8-22-20)25-10-12-27-13-11-25)23-18-7-9-24(16-18)15-17-4-2-1-3-5-17/h1-6,8,14,18H,7,9-13,15-16H2,(H,23,26)/p+1/t18-/m0/s1