azepan-1-yl-[1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[(1,3-diphenylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]methanone Formula: C28H35N4O+ MolecularWeight: 443.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N4O/c33-28(31-17-9-1-2-10-18-31)24-15-19-30(20-16-24)21-25-22-32(26-13-7-4-8-14-26)29-27(25)23-11-5-3-6-12-23/h3-8,11-14,22,24H,1-2,9-10,15-21H2/p+1