3-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-phenyl-amino]propanoyl-dimethyl-propyl-azanium

Systemtic Name: 3-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-phenyl-amino]propanoyl-dimethyl-propyl-azanium Openeye Name: 3-(N-[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]anilino)propanoyl-dimethyl-propyl-ammonium CAS Name: [3-(N-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]anilino)-1-oxopropyl]-dimethyl-propylammonium IUPAC Name: 3-(N-[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]anilino)propanoyl-dimethyl-propylazanium Traditional Name: 3-(N-[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]anilino)propanoyl-dimethyl-propyl-ammonium Formula: C28H34ClN4O3+ MolecularWeight: 510.04756

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

Isomeric SMILES

CCC[N+](C)(C)C(=O)CCN(C1=CC=CC=C1)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

InChI

InChI=1S/C28H34ClN4O3/c1-4-17-33(2,3)27(34)12-16-32(25-8-6-5-7-9-25)28(35)22-19-23(29)21-26(20-22)36-18-15-31-24-10-13-30-14-11-24/h5-11,13-14,19-21H,4,12,15-18H2,1-3H3,(H,30,31)/q+1