(2S)-2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide

Systemtic Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: (2S)-N-[2-[1-[(4-isopropylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide CAS Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: (2S)-2-methoxy-2-phenyl-N-[2-[1-[(4-propan-2-ylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: (2S)-N-[2-[1-(4-isopropylbenzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-methoxy-2-phenyl-acetamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C(C4=CC=CC=C4)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)[C@H](C4=CC=CC=C4)OC

InChI

InChI=1S/C27H34N4O2/c1-20(2)22-11-9-21(10-12-22)19-30-17-14-24(15-18-30)31-25(13-16-28-31)29-27(32)26(33-3)23-7-5-4-6-8-23/h4-13,16,20,24,26H,14-15,17-19H2,1-3H3,(H,29,32)/p+1/t26-/m0/s1