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

Systemtic Name: N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C24H33N6O+ MolecularWeight: 421.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4)C

InChI

InChI=1S/C24H32N6O/c1-19-21(17-28(2)27-19)18-29-15-12-22(13-16-29)30-23(11-14-25-30)26-24(31)10-6-9-20-7-4-3-5-8-20/h3-5,7-8,11,14,17,22H,6,9-10,12-13,15-16,18H2,1-2H3,(H,26,31)/p+1