N,N-diethyl-4-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]aniline

Systemtic Name: N,N-diethyl-4-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]aniline Openeye Name: N,N-diethyl-4-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]aniline CAS Name: N,N-diethyl-4-[(Z)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]iminomethyl]aniline IUPAC Name: N,N-diethyl-4-[(Z)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)iminomethyl]aniline Traditional Name: diethyl-[4-[(Z)-(4-pyridin-1-ium-2-ylpiperazino)iminomethyl]phenyl]amine Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C=NN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)/C=N\N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H27N5/c1-3-23(4-2)19-10-8-18(9-11-19)17-22-25-15-13-24(14-16-25)20-7-5-6-12-21-20/h5-12,17H,3-4,13-16H2,1-2H3/p+1/b22-17-