(6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one

Systemtic Name: (6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Openeye Name: (6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one CAS Name: (6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(3-pyridinylmethyl)-1,4-diazepan-4-ium-2-one IUPAC Name: (6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-4-ium-2-one Traditional Name: (6R)-6-(cyclopropylmethoxy)-4-(1H-pyrazol-5-ylmethyl)-1-(3-pyridylmethyl)-1,4-diazepan-4-ium-2-one Formula: C19H26N5O2+ MolecularWeight: 356.44204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2C[NH+](CC(=O)N(C2)CC3=CN=CC=C3)CC4=CC=NN4

Isomeric SMILES

C1CC1CO[C@H]2C[NH+](CC(=O)N(C2)CC3=CN=CC=C3)CC4=CC=NN4

InChI

InChI=1S/C19H25N5O2/c25-19-13-23(10-17-5-7-21-22-17)11-18(26-14-15-3-4-15)12-24(19)9-16-2-1-6-20-8-16/h1-2,5-8,15,18H,3-4,9-14H2,(H,21,22)/p+1/t18-/m0/s1