N-(2,6-dimethylphenyl)-2-[4-(1-pyridin-4-ylcarbonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(1-pyridin-4-ylcarbonylpiperidin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[oxo-[1-[oxo(pyridin-4-yl)methyl]-4-piperidinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[1-(pyridine-4-carbonyl)piperidine-4-carbonyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(1-isonicotinoylisonipecotoyl)piperazin-1-ium-1-yl]acetamide Formula: C26H34N5O3+ MolecularWeight: 464.57986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C26H33N5O3/c1-19-4-3-5-20(2)24(19)28-23(32)18-29-14-16-31(17-15-29)26(34)22-8-12-30(13-9-22)25(33)21-6-10-27-11-7-21/h3-7,10-11,22H,8-9,12-18H2,1-2H3,(H,28,32)/p+1