2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)ethanamide Openeye Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide CAS Name: 2-[4-[(3-chloro-4-methyl-2-quinolinyl)methyl]-1-piperazin-1-iumyl]-N-(3-methoxypropyl)acetamide IUPAC Name: 2-[4-[(3-chloro-4-methylquinolin-2-yl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Traditional Name: 2-[4-[(3-chloro-4-methyl-2-quinolyl)methyl]piperazin-1-ium-1-yl]-N-(3-methoxypropyl)acetamide Formula: C21H30ClN4O2+ MolecularWeight: 405.9415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)NCCCOC)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3CC[NH+](CC3)CC(=O)NCCCOC)Cl

InChI

InChI=1S/C21H29ClN4O2/c1-16-17-6-3-4-7-18(17)24-19(21(16)22)14-25-9-11-26(12-10-25)15-20(27)23-8-5-13-28-2/h3-4,6-7H,5,8-15H2,1-2H3,(H,23,27)/p+1