(3S)-1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[1-(2-morpholinoethyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[1-[2-(4-morpholinyl)ethyl]-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[1-(2-morpholin-4-ylethyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[1-(2-morpholinoethyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H29N4O2+ MolecularWeight: 321.43776

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2CCN3CCOCC3)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2CCN3CCOCC3)C(=O)N

InChI

InChI=1S/C17H28N4O2/c18-17(22)15-3-1-5-20(13-15)14-16-4-2-6-21(16)8-7-19-9-11-23-12-10-19/h2,4,6,15H,1,3,5,7-14H2,(H2,18,22)/p+1/t15-/m0/s1