1-[(2-methyl-5-propan-2-yl-pyrazol-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-methyl-5-propan-2-yl-pyrazol-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Openeye Name: 1-[(5-isopropyl-2-methyl-pyrazol-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium CAS Name: 1-[(2-methyl-5-propan-2-yl-3-pyrazolyl)methyl]-4-(2-pyrimidinyl)-1,4-diazepan-1-ium IUPAC Name: 1-[(2-methyl-5-propan-2-ylpyrazol-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepan-1-ium Traditional Name: 1-[(5-isopropyl-2-methyl-pyrazol-3-yl)methyl]-4-(2-pyrimidyl)-1,4-diazepan-1-ium Formula: C17H27N6+ MolecularWeight: 315.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)C[NH+]2CCCN(CC2)C3=NC=CC=N3)C

Isomeric SMILES

CC(C)C1=NN(C(=C1)C[NH+]2CCCN(CC2)C3=NC=CC=N3)C

InChI

InChI=1S/C17H26N6/c1-14(2)16-12-15(21(3)20-16)13-22-8-5-9-23(11-10-22)17-18-6-4-7-19-17/h4,6-7,12,14H,5,8-11,13H2,1-3H3/p+1