(3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(8-methoxy-2H-1-benzopyran-3-yl)methyl]-N-[3-(1-pyrazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(8-methoxy-2H-chromen-3-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidin-1-ium-3-carboxamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OCC(=C2)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=CC2=C1OCC(=C2)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC(=C4)N5C=CC=N5

InChI

InChI=1S/C26H28N4O3/c1-32-24-10-2-6-20-14-19(18-33-25(20)24)16-29-12-4-7-21(17-29)26(31)28-22-8-3-9-23(15-22)30-13-5-11-27-30/h2-3,5-6,8-11,13-15,21H,4,7,12,16-18H2,1H3,(H,28,31)/p+1/t21-/m0/s1