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

Systemtic Name: 5-(2-methylpropanoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide Openeye Name: 5-(2-methylpropanoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-yl-benzamide CAS Name: 5-[(2-methyl-1-oxopropyl)amino]-N-[3-(4-morpholin-4-iumyl)propyl]-2-(1-pyrrolidinyl)benzamide IUPAC Name: 5-(2-methylpropanoylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidin-1-ylbenzamide Traditional Name: 5-(isobutyrylamino)-N-(3-morpholin-4-ium-4-ylpropyl)-2-pyrrolidino-benzamide Formula: C22H35N4O3+ MolecularWeight: 403.5383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O3/c1-17(2)21(27)24-18-6-7-20(26-10-3-4-11-26)19(16-18)22(28)23-8-5-9-25-12-14-29-15-13-25/h6-7,16-17H,3-5,8-15H2,1-2H3,(H,23,28)(H,24,27)/p+1