2-[7-[[4-[(E)-butoxyiminomethyl]phenyl]carbonylamino]-2-butyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate

Systemtic Name: 2-[7-[[4-[(E)-butoxyiminomethyl]phenyl]carbonylamino]-2-butyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]ethanoate Openeye Name: 2-[7-[[4-[(E)-butoxyiminomethyl]benzoyl]amino]-2-butyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate CAS Name: 2-[7-[[[4-[(E)-butoxyiminomethyl]phenyl]-oxomethyl]amino]-2-butyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate IUPAC Name: 2-[7-[[4-[(E)-butoxyiminomethyl]benzoyl]amino]-2-butyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate Traditional Name: 2-[2-butyl-7-[[4-[(E)-butyloximinomethyl]benzoyl]amino]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]acetate Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C=NOCCCC)CC(=O)[O-]

Isomeric SMILES

CCCC[N+]1(CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)/C=N/OCCCC)CC(=O)[O-]

InChI

InChI=1S/C27H35N3O4/c1-3-5-14-30(20-26(31)32)15-13-22-11-12-25(17-24(22)19-30)29-27(33)23-9-7-21(8-10-23)18-28-34-16-6-4-2/h7-12,17-18H,3-6,13-16,19-20H2,1-2H3,(H-,29,31,32,33)/b28-18+