N-[2-[1-[(2S)-1-ethylpiperidin-1-ium-2-yl]carbonylpiperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide

Systemtic Name: N-[2-[1-[(2S)-1-ethylpiperidin-1-ium-2-yl]carbonylpiperidin-4-yl]pyrazol-3-yl]-4-phenyl-butanamide Openeye Name: N-[2-[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butanamide CAS Name: N-[2-[1-[[(2S)-1-ethyl-2-piperidin-1-iumyl]-oxomethyl]-4-piperidinyl]-3-pyrazolyl]-4-phenylbutanamide IUPAC Name: N-[2-[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide Traditional Name: N-[2-[1-[(2S)-1-ethylpiperidin-1-ium-2-carbonyl]-4-piperidyl]pyrazol-3-yl]-4-phenyl-butyramide Formula: C26H38N5O2+ MolecularWeight: 452.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCCC1C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCCC[C@H]1C(=O)N2CCC(CC2)N3C(=CC=N3)NC(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C26H37N5O2/c1-2-29-18-7-6-12-23(29)26(33)30-19-15-22(16-20-30)31-24(14-17-27-31)28-25(32)13-8-11-21-9-4-3-5-10-21/h3-5,9-10,14,17,22-23H,2,6-8,11-13,15-16,18-20H2,1H3,(H,28,32)/p+1/t23-/m0/s1