2-naphthalen-1-yloxyethyl 2-aminocarbonyl-3-(1-azanylethyl)-1-phenyl-pyridin-1-ium-4-carboxylate

Systemtic Name: 2-naphthalen-1-yloxyethyl 2-aminocarbonyl-3-(1-azanylethyl)-1-phenyl-pyridin-1-ium-4-carboxylate Openeye Name: 2-(1-naphthyloxy)ethyl 3-(1-aminoethyl)-2-carbamoyl-1-phenyl-pyridin-1-ium-4-carboxylate CAS Name: 3-(1-aminoethyl)-2-carbamoyl-1-phenyl-4-pyridin-1-iumcarboxylic acid 2-(1-naphthalenyloxy)ethyl ester IUPAC Name: 2-naphthalen-1-yloxyethyl 3-(1-aminoethyl)-2-carbamoyl-1-phenylpyridin-1-ium-4-carboxylate Traditional Name: 3-(1-aminoethyl)-2-carbamoyl-1-phenyl-pyridin-1-ium-4-carboxylic acid 2-(1-naphthoxy)ethyl ester Formula: C27H26N3O4+ MolecularWeight: 456.51304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)C(=O)OCCOC3=CC=CC4=CC=CC=C43)N

Isomeric SMILES

CC(C1=C(C=C[N+](=C1C(=O)N)C2=CC=CC=C2)C(=O)OCCOC3=CC=CC4=CC=CC=C43)N

InChI

InChI=1S/C27H25N3O4/c1-18(28)24-22(14-15-30(25(24)26(29)31)20-10-3-2-4-11-20)27(32)34-17-16-33-23-13-7-9-19-8-5-6-12-21(19)23/h2-15,18H,16-17,28H2,1H3,(H-,29,31)/p+1