2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H32N4O4S/c31-25(28-11-3-4-12-28)20-27-14-16-29(17-15-27)26(32)22-8-5-9-24(18-22)35(33,34)30-13-10-21-6-1-2-7-23(21)19-30/h1-2,5-9,18H,3-4,10-17,19-20H2/p+1