4-azanyl-5-(4-chlorophenyl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(propan-2-ylamino)thiophene-3-carboxamide

Systemtic Name: 4-azanyl-5-(4-chlorophenyl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)-2-(propan-2-ylamino)thiophene-3-carboxamide Openeye Name: 4-amino-5-(4-chlorobenzoyl)-2-(isopropylamino)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide CAS Name: 4-amino-5-[(4-chlorophenyl)-oxomethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-(propan-2-ylamino)-3-thiophenecarboxamide IUPAC Name: 4-amino-5-(4-chlorobenzoyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-(propan-2-ylamino)thiophene-3-carboxamide Traditional Name: 4-amino-5-(4-chlorobenzoyl)-2-(isopropylamino)-N-(2-morpholin-4-ium-4-ylethyl)thiophene-3-carboxamide Formula: C21H28ClN4O3S+ MolecularWeight: 451.99002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC(C)NC1=C(C(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C21H27ClN4O3S/c1-13(2)25-21-16(20(28)24-7-8-26-9-11-29-12-10-26)17(23)19(30-21)18(27)14-3-5-15(22)6-4-14/h3-6,13,25H,7-12,23H2,1-2H3,(H,24,28)/p+1