1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea

Systemtic Name: 1-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3-[(1-phenylpyrazol-4-yl)methyl]urea Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea CAS Name: 1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-[(1-phenyl-4-pyrazolyl)methyl]urea IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-3-[(1-phenylpyrazol-4-yl)methyl]urea Formula: C23H28N5O+ MolecularWeight: 390.50132

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)NCC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O/c29-23(24-15-20-16-25-28(18-20)22-9-5-2-6-10-22)26-21-11-13-27(14-12-21)17-19-7-3-1-4-8-19/h1-10,16,18,21H,11-15,17H2,(H2,24,26,29)/p+1