6-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoyl-dimethyl-propyl-azanium

Systemtic Name: 6-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]hexanoyl-dimethyl-propyl-azanium Openeye Name: 6-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]hexanoyl-dimethyl-propyl-ammonium CAS Name: [6-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]-1-oxohexyl]-dimethyl-propylammonium IUPAC Name: 6-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]hexanoyl-dimethyl-propylazanium Traditional Name: 6-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]hexanoyl-dimethyl-propyl-ammonium Formula: C28H42ClN4O3+ MolecularWeight: 518.11108

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C)C(=O)CCCCCN(C(C)C)C(=O)C1=CC(=CC(=C1)Cl)OCCNC2=CC=NC=C2

Isomeric SMILES

CCC[N+](C)(C)C(=O)CCCCCN(C(C)C)C(=O)C1=CC(=CC(=C1)Cl)OCCNC2=CC=NC=C2

InChI

InChI=1S/C28H42ClN4O3/c1-6-17-33(4,5)27(34)10-8-7-9-16-32(22(2)3)28(35)23-19-24(29)21-26(20-23)36-18-15-31-25-11-13-30-14-12-25/h11-14,19-22H,6-10,15-18H2,1-5H3,(H,30,31)/q+1