N-[2-[bis(2-chloroethyl)amino]ethyl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide

Systemtic Name: N-[2-[bis(2-chloroethyl)amino]ethyl]-1-(phenylmethyl)pyridin-1-ium-3-carboxamide Openeye Name: 1-benzyl-N-[2-[bis(2-chloroethyl)amino]ethyl]pyridin-1-ium-3-carboxamide CAS Name: N-[2-[bis(2-chloroethyl)amino]ethyl]-1-(phenylmethyl)-3-pyridin-1-iumcarboxamide IUPAC Name: 1-benzyl-N-[2-[bis(2-chloroethyl)amino]ethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-benzyl-N-[2-[bis(2-chloroethyl)amino]ethyl]pyridin-1-ium-3-carboxamide Formula: C19H24Cl2N3O+ MolecularWeight: 381.31936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCCN(CCCl)CCCl

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCCN(CCCl)CCCl

InChI

InChI=1S/C19H23Cl2N3O/c20-8-12-23(13-9-21)14-10-22-19(25)18-7-4-11-24(16-18)15-17-5-2-1-3-6-17/h1-7,11,16H,8-10,12-15H2/p+1