(2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide

Systemtic Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: (2R)-2-acetamido-3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)C)C4=CC=CS4

InChI

InChI=1S/C25H32N4O2S/c1-17-9-11-29(12-10-17)23(24-8-5-13-32-24)16-27-25(31)22(28-18(2)30)14-19-15-26-21-7-4-3-6-20(19)21/h3-8,13,15,17,22-23,26H,9-12,14,16H2,1-2H3,(H,27,31)(H,28,30)/p+1/t22-,23-/m1/s1