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

Systemtic Name: N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ium-2-ylmethyl)aniline Openeye Name: N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ium-2-ylmethyl)aniline CAS Name: N,N-bis(2-chloroethyl)-4-(2-isoquinolin-2-iumylmethyl)aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-(isoquinolin-2-ium-2-ylmethyl)aniline Traditional Name: bis(2-chloroethyl)-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]amine Formula: C20H21Cl2N2+ MolecularWeight: 360.30014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C20H21Cl2N2/c21-10-13-24(14-11-22)20-7-5-17(6-8-20)15-23-12-9-18-3-1-2-4-19(18)16-23/h1-9,12,16H,10-11,13-15H2/q+1