N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-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=CC4=NC=CN=C4C=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CC4=NC=CN=C4C=C3

InChI

InChI=1S/C24H28N4O/c1-27(24(29)20-11-12-22-23(17-20)26-14-13-25-22)21-10-6-16-28(18-21)15-5-9-19-7-3-2-4-8-19/h2-4,7-8,11-14,17,21H,5-6,9-10,15-16,18H2,1H3/p+1/t21-/m0/s1