N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[(1,3-diphenyl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C25H30N5O+ MolecularWeight: 416.5386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O/c31-24(26-22-11-12-22)19-29-15-13-28(14-16-29)17-21-18-30(23-9-5-2-6-10-23)27-25(21)20-7-3-1-4-8-20/h1-10,18,22H,11-17,19H2,(H,26,31)/p+1