(1S,2S)-2-[4-[(2-methylquinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol

Systemtic Name: (1S,2S)-2-[4-[(2-methylquinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Openeye Name: (1S,2S)-2-[4-[(2-methyl-4-quinolyl)methyl]piperazin-4-ium-1-yl]cyclohexanol CAS Name: (1S,2S)-2-[4-[(2-methyl-4-quinolinyl)methyl]-1-piperazin-4-iumyl]-1-cyclohexanol IUPAC Name: (1S,2S)-2-[4-[(2-methylquinolin-4-yl)methyl]piperazin-4-ium-1-yl]cyclohexan-1-ol Traditional Name: (1S,2S)-2-[4-[(2-methyl-4-quinolyl)methyl]piperazin-4-ium-1-yl]cyclohexanol Formula: C21H30N3O+ MolecularWeight: 340.4824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C[NH+]3CCN(CC3)C4CCCCC4O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C[NH+]3CCN(CC3)[C@H]4CCCC[C@@H]4O

InChI

InChI=1S/C21H29N3O/c1-16-14-17(18-6-2-3-7-19(18)22-16)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)25/h2-3,6-7,14,20-21,25H,4-5,8-13,15H2,1H3/p+1/t20-,21-/m0/s1