N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-[(phenylmethyl)carbamoylamino]propanamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-[(phenylmethyl)carbamoylamino]propanamide Openeye Name: 3-(benzylcarbamoylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propanamide IUPAC Name: 3-(benzylcarbamoylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-(benzylcarbamoylamino)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCNC(=O)NCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C23H32N4O2S/c1-18-10-13-27(14-11-18)20(21-8-5-15-30-21)17-25-22(28)9-12-24-23(29)26-16-19-6-3-2-4-7-19/h2-8,15,18,20H,9-14,16-17H2,1H3,(H,25,28)(H2,24,26,29)/p+1/t20-/m1/s1