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

Systemtic Name: 3-[[3-chloranyl-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]carbonyl-propan-2-yl-amino]propanoyl-dimethyl-propyl-azanium Openeye Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]propanoyl-dimethyl-propyl-ammonium CAS Name: [3-[[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]phenyl]-oxomethyl]-propan-2-ylamino]-1-oxopropyl]-dimethyl-propylammonium IUPAC Name: 3-[[3-chloro-5-[2-(pyridin-4-ylamino)ethoxy]benzoyl]-propan-2-ylamino]propanoyl-dimethyl-propylazanium Traditional Name: 3-[[3-chloro-5-[2-(4-pyridylamino)ethoxy]benzoyl]-isopropyl-amino]propanoyl-dimethyl-propyl-ammonium Formula: C25H36ClN4O3+ MolecularWeight: 476.03134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36ClN4O3/c1-6-14-30(4,5)24(31)9-13-29(19(2)3)25(32)20-16-21(26)18-23(17-20)33-15-12-28-22-7-10-27-11-8-22/h7-8,10-11,16-19H,6,9,12-15H2,1-5H3,(H,27,28)/q+1