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

Systemtic Name: methyl-(naphthalen-2-ylmethyl)-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: methyl-(2-naphthylmethyl)-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: methyl-(2-naphthalenylmethyl)-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: methyl-(naphthalen-2-ylmethyl)-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-methyl-(2-naphthylmethyl)ammonium Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C[NH+](CC1=CC2=CC=CC=C2C=C1)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O/c1-25(17-19-9-10-20-6-2-3-7-21(20)16-19)18-23(28)27-14-12-26(13-15-27)22-8-4-5-11-24-22/h2-11,16H,12-15,17-18H2,1H3/p+2