N-butyl-2-[4-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H32N5O5S+ MolecularWeight: 442.55288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H31N5O5S/c1-2-3-4-20-18(25)15-22-5-7-23(8-6-22)19(26)17-13-16(14-21-17)30(27,28)24-9-11-29-12-10-24/h13-14,21H,2-12,15H2,1H3,(H,20,25)/p+1