(3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(2-methyl-1-imidazolyl)phenyl]-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(2-methylimidazol-1-yl)phenyl]-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C25H28N7O+ MolecularWeight: 442.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C25H27N7O/c1-19-26-13-16-31(19)22-9-7-21(8-10-22)29-24(33)20-5-2-14-30(17-20)18-23-6-3-15-32(23)25-27-11-4-12-28-25/h3-4,6-13,15-16,20H,2,5,14,17-18H2,1H3,(H,29,33)/p+1/t20-/m0/s1