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

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

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H26ClN3O4/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)/p+1