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

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-propan-2-yl-piperidin-1-ium-1-yl]ethanoate hydrochloride Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isopropyl-piperidin-1-ium-1-yl]acetate hydrochloride CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-propan-2-yl-1-piperidin-1-iumyl]acetate hydrochloride IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-propan-2-ylpiperidin-1-ium-1-yl]acetate hydrochloride Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-isopropyl-piperidin-1-ium-1-yl]acetate hydrochloride Formula: C18H27Cl2N3O4 MolecularWeight: 420.33068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4.ClH/c1-11(2)22(10-17(23)24)6-4-12(5-7-22)21-18(25)13-8-14(19)15(20)9-16(13)26-3;/h8-9,11-12H,4-7,10H2,1-3H3,(H3-,20,21,23,24,25);1H