1H-indazol-3-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone

Systemtic Name: 1H-indazol-3-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1H-indazol-3-yl)methanone CAS Name: 1H-indazol-3-yl-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1H-indazol-3-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-4-ium-1-yl)-(1H-indazol-3-yl)methanone Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=NNC3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=NNC3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H22N4O/c25-20(19-17-9-4-5-10-18(17)21-22-19)24-12-6-11-23(13-14-24)15-16-7-2-1-3-8-16/h1-5,7-10H,6,11-15H2,(H,21,22)/p+1