4-phenyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide

Systemtic Name: 4-phenyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Openeye Name: N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: 4-phenyl-N-[2-[1-[(1-propan-2-yl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]butanamide IUPAC Name: 4-phenyl-N-[2-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]butanamide Traditional Name: N-[2-[1-[(1-isopropylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C25H35N6O+ MolecularWeight: 435.585

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C25H34N6O/c1-20(2)30-19-22(17-27-30)18-29-15-12-23(13-16-29)31-24(11-14-26-31)28-25(32)10-6-9-21-7-4-3-5-8-21/h3-5,7-8,11,14,17,19-20,23H,6,9-10,12-13,15-16,18H2,1-2H3,(H,28,32)/p+1