(4-dimethylaminophenyl)methyl-ethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-ethyl-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-ethyl-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]ammonium Formula: C22H33N5O+2 MolecularWeight: 383.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC[NH+](CC1=CC=C(C=C1)N(C)C)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C22H31N5O/c1-4-25(17-19-8-10-20(11-9-19)24(2)3)18-22(28)27-15-13-26(14-16-27)21-7-5-6-12-23-21/h5-12H,4,13-18H2,1-3H3/p+2