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

Systemtic Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-oxidanyl-propyl]-dimethyl-(4-phenylbutyl)azanium Openeye Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(4-phenylbutyl)ammonium CAS Name: [3-[2-cyano-4-[(dipropylamino)-oxomethyl]phenoxy]-2-hydroxypropyl]-dimethyl-(4-phenylbutyl)ammonium IUPAC Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxypropyl]-dimethyl-(4-phenylbutyl)azanium Traditional Name: [3-[2-cyano-4-(dipropylcarbamoyl)phenoxy]-2-hydroxy-propyl]-dimethyl-(4-phenylbutyl)ammonium Formula: C29H42N3O3+ MolecularWeight: 480.66208

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCCC2=CC=CC=C2)O)C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(C[N+](C)(C)CCCCC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C29H42N3O3/c1-5-17-31(18-6-2)29(34)25-15-16-28(26(20-25)21-30)35-23-27(33)22-32(3,4)19-11-10-14-24-12-8-7-9-13-24/h7-9,12-13,15-16,20,27,33H,5-6,10-11,14,17-19,22-23H2,1-4H3/q+1