(6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Openeye Name: (6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one CAS Name: (6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one IUPAC Name: (6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-(2-methylpropyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-4-ium-2-one Traditional Name: (6S)-4-(1H-imidazol-3-ium-2-ylmethyl)-1-isobutyl-6-(4-pyridylmethoxy)-1,4-diazepan-4-ium-2-one Formula: C19H29N5O2+2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(C[NH+](CC1=O)CC2=[NH+]C=CN2)OCC3=CC=NC=C3

Isomeric SMILES

CC(C)CN1C[C@@H](C[NH+](CC1=O)CC2=[NH+]C=CN2)OCC3=CC=NC=C3

InChI

InChI=1S/C19H27N5O2/c1-15(2)9-24-11-17(26-14-16-3-5-20-6-4-16)10-23(13-19(24)25)12-18-21-7-8-22-18/h3-8,15,17H,9-14H2,1-2H3,(H,21,22)/p+2/t17-/m1/s1