N-methyl-2-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]chromene-3-carboxamide

Systemtic Name: N-methyl-2-oxidanylidene-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]chromene-3-carboxamide Openeye Name: N-methyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]chromene-3-carboxamide CAS Name: N-methyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-1-benzopyran-3-carboxamide IUPAC Name: N-methyl-2-oxo-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]chromene-3-carboxamide Traditional Name: 2-keto-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]chromene-3-carboxamide Formula: C25H29N2O3+ MolecularWeight: 405.50936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H28N2O3/c1-26(24(28)22-17-20-12-5-6-14-23(20)30-25(22)29)21-13-8-16-27(18-21)15-7-11-19-9-3-2-4-10-19/h2-6,9-10,12,14,17,21H,7-8,11,13,15-16,18H2,1H3/p+1/t21-/m0/s1