(3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[(3-methyl-2-quinoxalinyl)methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-ol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CCC(C(C3)O)[NH+]4CCCCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC[C@H]([C@@H](C3)O)[NH+]4CCCCCC4

InChI

InChI=1S/C21H30N4O/c1-16-19(23-18-9-5-4-8-17(18)22-16)14-24-13-10-20(21(26)15-24)25-11-6-2-3-7-12-25/h4-5,8-9,20-21,26H,2-3,6-7,10-15H2,1H3/p+1/t20-,21-/m1/s1