2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-propyl-piperidin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[4-[(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonylamino]-1-propyl-piperidin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-propyl-piperidin-1-ium-1-yl]acetic acid CAS Name: 2-[4-[[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]amino]-1-propyl-1-piperidin-1-iumyl]acetic acid IUPAC Name: 2-[4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-1-propylpiperidin-1-ium-1-yl]acetic acid Traditional Name: 2-[4-[(4-amino-5-chloro-2-methoxy-benzoyl)amino]-1-propyl-piperidin-1-ium-1-yl]acetic acid Formula: C18H27ClN3O4+ MolecularWeight: 384.87768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4/c1-3-6-22(11-17(23)24)7-4-12(5-8-22)21-18(25)13-9-14(19)15(20)10-16(13)26-2/h9-10,12H,3-8,11H2,1-2H3,(H3-,20,21,23,24,25)/p+1