3-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenoxy]propylazanium

Systemtic Name: 3-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-phenoxy]propylazanium Openeye Name: 3-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propylammonium CAS Name: 3-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]propylammonium IUPAC Name: 3-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propylazanium Traditional Name: 3-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]propylammonium Formula: C16H27N3O3+2 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCCC[NH3+])OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)OCCC[NH3+])OC

InChI

InChI=1S/C16H25N3O3/c1-18-7-9-19(10-8-18)16(20)13-4-5-14(15(12-13)21-2)22-11-3-6-17/h4-5,12H,3,6-11,17H2,1-2H3/p+2