(3R)-2-(furan-2-ylcarbonyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(furan-2-ylcarbonyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(furan-2-carbonyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[2-furanyl(oxo)methyl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(furan-2-carbonyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-(2-furoyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N4O3/c32-26(28-12-13-29-14-16-30(17-15-29)23-9-2-1-3-10-23)24-19-21-7-4-5-8-22(21)20-31(24)27(33)25-11-6-18-34-25/h1-11,18,24H,12-17,19-20H2,(H,28,32)/p+1/t24-/m1/s1