2-[(2S)-1-cyclopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-cyclopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclopentyl-4-[(3-methyl-2-quinoxalinyl)methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclopentyl-4-[(3-methylquinoxalin-2-yl)methyl]piperazin-1-ium-2-yl]ethanol Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3CC[NH+](C(C3)CCO)C4CCCC4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3CC[NH+]([C@H](C3)CCO)C4CCCC4

InChI

InChI=1S/C21H30N4O/c1-16-21(23-20-9-5-4-8-19(20)22-16)15-24-11-12-25(17-6-2-3-7-17)18(14-24)10-13-26/h4-5,8-9,17-18,26H,2-3,6-7,10-15H2,1H3/p+1/t18-/m0/s1