1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium Openeye Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-indan-2-yl-1,4-diazepan-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(1,3-dimethyl-4-pyrazolyl)-2-pyrimidinyl]-1,4-diazepan-1-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-1,4-diazepan-1-ium Traditional Name: 1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]-4-indan-2-yl-1,4-diazepan-4-ium Formula: C23H29N6+ MolecularWeight: 389.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC(=NC=C2)N3CCC[NH+](CC3)C4CC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=NN(C=C1C2=NC(=NC=C2)N3CCC[NH+](CC3)C4CC5=CC=CC=C5C4)C

InChI

InChI=1S/C23H28N6/c1-17-21(16-27(2)26-17)22-8-9-24-23(25-22)29-11-5-10-28(12-13-29)20-14-18-6-3-4-7-19(18)15-20/h3-4,6-9,16,20H,5,10-15H2,1-2H3/p+1