2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-hexyl-piperidin-1-ium-1-yl]ethanoate hydrochloride

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-hexyl-piperidin-1-ium-1-yl]ethanoate hydrochloride Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-hexyl-piperidin-1-ium-1-yl]acetate hydrochloride CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-hexyl-1-piperidin-1-iumyl]acetate hydrochloride IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-hexylpiperidin-1-ium-1-yl]acetate hydrochloride Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-hexyl-piperidin-1-ium-1-yl]acetate hydrochloride Formula: C21H33Cl2N3O4 MolecularWeight: 462.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1(CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)[O-].Cl

Isomeric SMILES

CCCCCC[N+]1(CCC(CC1)NC(=O)C2=CC(=C(C=C2OC)N)Cl)CC(=O)[O-].Cl

InChI

InChI=1S/C21H32ClN3O4.ClH/c1-3-4-5-6-9-25(14-20(26)27)10-7-15(8-11-25)24-21(28)16-12-17(22)18(23)13-19(16)29-2;/h12-13,15H,3-11,14H2,1-2H3,(H3-,23,24,26,27,28);1H