1-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-(isoamylcarbamoylamino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H30N4O3/c1-15(2)8-11-21-20(27)23-18(25)14-24-12-9-16(10-13-24)19(26)22-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,22,26)(H2,21,23,25,27)/p+1