2-[(5-chloranylthiophen-2-yl)carbonylamino]-N-phenethyl-1-propan-2-yl-piperidin-1-ium-1-carboxamide

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)carbonylamino]-N-phenethyl-1-propan-2-yl-piperidin-1-ium-1-carboxamide Openeye Name: 2-[(5-chlorothiophene-2-carbonyl)amino]-1-isopropyl-N-phenethyl-piperidin-1-ium-1-carboxamide CAS Name: 2-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-N-phenethyl-1-propan-2-yl-1-piperidin-1-iumcarboxamide IUPAC Name: 2-[(5-chlorothiophene-2-carbonyl)amino]-N-phenethyl-1-propan-2-ylpiperidin-1-ium-1-carboxamide Traditional Name: 2-[(5-chlorothiophene-2-carbonyl)amino]-1-isopropyl-N-phenethyl-piperidin-1-ium-1-carboxamide Formula: C22H29ClN3O2S+ MolecularWeight: 435.00256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1(CCCCC1NC(=O)C2=CC=C(S2)Cl)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)[N+]1(CCCCC1NC(=O)C2=CC=C(S2)Cl)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O2S/c1-16(2)26(22(28)24-14-13-17-8-4-3-5-9-17)15-7-6-10-20(26)25-21(27)18-11-12-19(23)29-18/h3-5,8-9,11-12,16,20H,6-7,10,13-15H2,1-2H3,(H-,24,25,27,28)/p+1