3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]carbonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-3-pyridin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridin-1-ium-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-[4-(2-methoxyphenyl)piperazino]pyridin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C22H33N5O2+2 MolecularWeight: 399.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C([NH+]=CC=C1)N2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H31N5O2/c1-25(2)13-7-12-24-22(28)18-8-6-11-23-21(18)27-16-14-26(15-17-27)19-9-4-5-10-20(19)29-3/h4-6,8-11H,7,12-17H2,1-3H3,(H,24,28)/p+2