1-(4-phenylpiperazin-1-yl)-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-one

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Openeye Name: 3-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 1-(4-phenyl-1-piperazinyl)-3-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-1-propanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-3-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]propan-1-one Traditional Name: 3-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C25H38N5O+ MolecularWeight: 424.60212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H37N5O/c1-21(2)30-20-23(18-26-30)19-27-12-10-22(11-13-27)8-9-25(31)29-16-14-28(15-17-29)24-6-4-3-5-7-24/h3-7,18,20-22H,8-17,19H2,1-2H3/p+1