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

Systemtic Name: N-[(4-methylphenyl)methyl]-4-[2-oxidanylidene-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[2-oxo-2-(propylamino)ethyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-4-[2-oxo-2-(propylamino)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[2-keto-2-(propylamino)ethyl]-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C18H29N4O2+ MolecularWeight: 333.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C18H28N4O2/c1-3-8-19-17(23)14-21-9-11-22(12-10-21)18(24)20-13-16-6-4-15(2)5-7-16/h4-7H,3,8-14H2,1-2H3,(H,19,23)(H,20,24)/p+1