1,3-benzodioxol-5-yl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H24N3O3+ MolecularWeight: 390.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC(C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@@H](C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O3/c1-15-20(25-19-7-3-2-6-18(19)24-15)13-26-10-4-5-17(12-26)23(27)16-8-9-21-22(11-16)29-14-28-21/h2-3,6-9,11,17H,4-5,10,12-14H2,1H3/p+1/t17-/m0/s1