N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide

Systemtic Name: N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Openeye Name: N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide CAS Name: N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-6-quinoxalinecarboxamide IUPAC Name: N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Traditional Name: N,2,3-trimethyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]quinoxaline-6-carboxamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)N(C)C3CCC[NH+](C3)CCCC4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)CCCC4=CC=CC=C4)N=C1C

InChI

InChI=1S/C26H32N4O/c1-19-20(2)28-25-17-22(13-14-24(25)27-19)26(31)29(3)23-12-8-16-30(18-23)15-7-11-21-9-5-4-6-10-21/h4-6,9-10,13-14,17,23H,7-8,11-12,15-16,18H2,1-3H3/p+1/t23-/m0/s1