1-[2-[2-chloroethyl(naphthalen-2-yl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[2-chloroethyl(naphthalen-2-yl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-[2-chloroethyl(2-naphthyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-[2-chloroethyl(2-naphthalenyl)amino]ethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-[2-chloroethyl(naphthalen-2-yl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-[2-chloroethyl(2-naphthyl)amino]ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C20H21Cl2N3O MolecularWeight: 390.30624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)N(CC[N+]3=CC=CC(=C3)C(=O)N)CCCl.[Cl-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)N(CC[N+]3=CC=CC(=C3)C(=O)N)CCCl.[Cl-]

InChI

InChI=1S/C20H20ClN3O.ClH/c21-9-11-24(13-12-23-10-3-6-18(15-23)20(22)25)19-8-7-16-4-1-2-5-17(16)14-19;/h1-8,10,14-15H,9,11-13H2,(H-,22,25);1H