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

Systemtic Name: 3-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-cyclobutyl-amino]propanoyl-dimethyl-propyl-azanium Openeye Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclobutyl-amino]propanoyl-dimethyl-propyl-ammonium CAS Name: [3-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-cyclobutylamino]-1-oxopropyl]-dimethyl-propylammonium IUPAC Name: 3-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-cyclobutylamino]propanoyl-dimethyl-propylazanium Traditional Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-cyclobutyl-amino]propanoyl-dimethyl-propyl-ammonium Formula: C26H36ClN4O3+ MolecularWeight: 488.04204

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)CCN(C1CCC1)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

Isomeric SMILES

CCC[N+](C)(C)C(=O)CCN(C1CCC1)C(=O)C2=CC(=CC(=C2)Cl)OCCNC3=CC=NC=C3

InChI

InChI=1S/C26H36ClN4O3/c1-4-15-31(2,3)25(32)10-14-30(23-6-5-7-23)26(33)20-17-21(27)19-24(18-20)34-16-13-29-22-8-11-28-12-9-22/h8-9,11-12,17-19,23H,4-7,10,13-16H2,1-3H3,(H,28,29)/q+1