[3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium

Systemtic Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Openeye Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium CAS Name: [3-[2-cyano-4-[(dipropylamino)-oxomethyl]phenoxy]-2-hydroxypropyl]-dimethyl-[2-(2-naphthalenyl)ethyl]ammonium IUPAC Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxypropyl]-dimethyl-(2-naphthalen-2-ylethyl)azanium Traditional Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-[2-(2-naphthyl)ethyl]ammonium Formula: C31H40N3O3+ MolecularWeight: 502.6676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCC2=CC3=CC=CC=C3C=C2)O)C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCC2=CC3=CC=CC=C3C=C2)O)C#N

InChI

InChI=1S/C31H40N3O3/c1-5-16-33(17-6-2)31(36)27-13-14-30(28(20-27)21-32)37-23-29(35)22-34(3,4)18-15-24-11-12-25-9-7-8-10-26(25)19-24/h7-14,19-20,29,35H,5-6,15-18,22-23H2,1-4H3/q+1