N-(2-methoxyphenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(2-methoxyphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide CAS Name: N-(2-methoxyphenyl)-4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(propylamino)ethyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C17H26N4O3/c1-3-8-18-16(22)13-20-9-11-21(12-10-20)17(23)19-14-6-4-5-7-15(14)24-2/h4-7H,3,8-13H2,1-2H3,(H,18,22)(H,19,23)/p+1