5-(butylcarbamoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide

Systemtic Name: 5-(butylcarbamoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(butylcarbamoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[[butylamino(oxo)methyl]amino]-N-[3-(4-morpholin-4-iumyl)propyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(butylcarbamoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(butylcarbamoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidino-benzamide Formula: C23H38N5O3+ MolecularWeight: 432.57952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCCCNC(=O)NC1=CC(=C(C=C1)N2CCCC2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C23H37N5O3/c1-2-3-9-25-23(30)26-19-7-8-21(28-12-4-5-13-28)20(18-19)22(29)24-10-6-11-27-14-16-31-17-15-27/h7-8,18H,2-6,9-17H2,1H3,(H,24,29)(H2,25,26,30)/p+1