N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-5-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-5-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-5-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-5-quinoxalinecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-5-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-5-carboxamide Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)N=CC=N4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=C4C(=CC=C3)N=CC=N4

InChI

InChI=1S/C24H28N4O/c1-27(24(29)21-12-5-13-22-23(21)26-15-14-25-22)20-11-7-17-28(18-20)16-6-10-19-8-3-2-4-9-19/h2-5,8-9,12-15,20H,6-7,10-11,16-18H2,1H3/p+1/t20-/m0/s1