dimethyl-[2-[6-methyl-4-oxidanylidene-2-phenethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-[2-[6-methyl-4-oxidanylidene-2-phenethyl-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-pyridin-1-yl]ethyl]azanium Openeye Name: dimethyl-[2-[6-methyl-4-oxo-2-phenethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-pyridyl]ethyl]ammonium CAS Name: dimethyl-[2-[6-methyl-4-oxo-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-2-phenethyl-1-pyridinyl]ethyl]ammonium IUPAC Name: dimethyl-[2-[6-methyl-4-oxo-2-phenethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)pyridin-1-yl]ethyl]azanium Traditional Name: 2-[4-keto-6-methyl-2-phenethyl-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-pyridyl]ethyl-dimethyl-ammonium Formula: C28H37N5O2+2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C28H35N5O2/c1-22-21-25(34)27(28(35)32-18-16-31(17-19-32)26-11-7-8-14-29-26)24(33(22)20-15-30(2)3)13-12-23-9-5-4-6-10-23/h4-11,14,21H,12-13,15-20H2,1-3H3/p+2