N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline Openeye Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline CAS Name: N,N-bis(2-chloroethyl)-4-(1-pyridin-1-iumylmethyl)aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline Traditional Name: bis(2-chloroethyl)-[4-(pyridin-1-ium-1-ylmethyl)phenyl]amine Formula: C16H19Cl2N2+ MolecularWeight: 310.24146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C16H19Cl2N2/c17-8-12-20(13-9-18)16-6-4-15(5-7-16)14-19-10-2-1-3-11-19/h1-7,10-11H,8-9,12-14H2/q+1