[6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

Systemtic Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Openeye Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone CAS Name: [6-(cyclopropylmethylamino)-3-pyridin-1-iumyl]-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone Traditional Name: [6-(cyclopropylmethylamino)pyridin-1-ium-3-yl]-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]methanone Formula: C19H25N6O+ MolecularWeight: 353.4414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCC3CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H24N6O/c26-18(16-5-6-17(23-14-16)22-13-15-3-4-15)24-9-2-10-25(12-11-24)19-20-7-1-8-21-19/h1,5-8,14-15H,2-4,9-13H2,(H,22,23)/p+1